4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride

C109H111ClN37O15P2+ — CID 162007497

IUPAC4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride
SMILESC=C(O)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.C=C(OC)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.CCOP(=O)(Cc1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1)OCC.CP(=O)(O)Cc1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.Cc1cccc(CN2C(=O)Cc3c(N)nc(-c4ccn[nH]4)nc32)[n+]1O.Cl.Nc1nc(-n2cccn2)nc2c1CC(=O)N2Cc1cccc(CO)c1
InChIInChI=1S/C21H25N6O4P.C19H18N6O2.C18H19N6O3P.C18H16N6O2.C17H16N6O2.C16H16N7O2.ClH/c1-3-30-32(29,31-4-2)14-16-8-5-7-15(11-16)13-26-18(28)12-17-19(22)24-21(25-20(17)26)27-10-6-9-23-27;1-12(27-2)14-6-3-5-13(9-14)11-24-16(26)10-15-17(20)22-19(23-18(15)24)25-8-4-7-21-25;1-28(26,27)11-13-5-2-4-12(8-13)10-23-15(25)9-14-16(19)21-18(22-17(14)23)24-7-3-6-20-24;1-11(25)13-5-2-4-12(8-13)10-23-15(26)9-14-16(19)21-18(22-17(14)23)24-7-3-6-20-24;18-15-13-8-14(25)22(9-11-3-1-4-12(7-11)10-24)16(13)21-17(20-15)23-6-2-5-19-23;1-9-3-2-4-10(23(9)25)8-22-13(24)7-11-14(17)19-15(20-16(11)22)12-5-6-18-21-12;/h5-11H,3-4,12-14H2,1-2H3,(H2,22,24,25);3-9H,1,10-11H2,2H3,(H2,20,22,23);2-8H,9-11H2,1H3,(H,26,27)(H2,19,21,22);2-8,25H,1,9-10H2,(H2,19,21,22);1-7,24H,8-10H2,(H2,18,20,21);2-6,25H,7-8H2,1H3,(H,18,21)(H2,17,19,20);1H/q;;;;;+1;
InChIKeyKUZRVWQPRNXIRT-UHFFFAOYSA-N
MW2276.73 g/mol
LogP10.27
Rot. Bonds30

About 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride

4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride (PubChem CID 162007497) has the molecular formula C109H111ClN37O15P2+ and a molecular weight of 2276.73 g/mol. Its IUPAC name is 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride
PubChem CID162007497
Molecular FormulaC109H111ClN37O15P2+
Molecular Weight2276.73 g/mol
Exact Mass2274.82
IUPAC Name4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride
SMILESC=C(O)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.C=C(OC)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.CCOP(=O)(Cc1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1)OCC.CP(=O)(O)Cc1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.Cc1cccc(CN2C(=O)Cc3c(N)nc(-c4ccn[nH]4)nc32)[n+]1O.Cl.Nc1nc(-n2cccn2)nc2c1CC(=O)N2Cc1cccc(CO)c1
InChIInChI=1S/C21H25N6O4P.C19H18N6O2.C18H19N6O3P.C18H16N6O2.C17H16N6O2.C16H16N7O2.ClH/c1-3-30-32(29,31-4-2)14-16-8-5-7-15(11-16)13-26-18(28)12-17-19(22)24-21(25-20(17)26)27-10-6-9-23-27;1-12(27-2)14-6-3-5-13(9-14)11-24-16(26)10-15-17(20)22-19(23-18(15)24)25-8-4-7-21-25;1-28(26,27)11-13-5-2-4-12(8-13)10-23-15(25)9-14-16(19)21-18(22-17(14)23)24-7-3-6-20-24;1-11(25)13-5-2-4-12(8-13)10-23-15(26)9-14-16(19)21-18(22-17(14)23)24-7-3-6-20-24;18-15-13-8-14(25)22(9-11-3-1-4-12(7-11)10-24)16(13)21-17(20-15)23-6-2-5-19-23;1-9-3-2-4-10(23(9)25)8-22-13(24)7-11-14(17)19-15(20-16(11)22)12-5-6-18-21-12;/h5-11H,3-4,12-14H2,1-2H3,(H2,22,24,25);3-9H,1,10-11H2,2H3,(H2,20,22,23);2-8H,9-11H2,1H3,(H,26,27)(H2,19,21,22);2-8,25H,1,9-10H2,(H2,19,21,22);1-7,24H,8-10H2,(H2,18,20,21);2-6,25H,7-8H2,1H3,(H,18,21)(H2,17,19,20);1H/q;;;;;+1;
InChIKeyKUZRVWQPRNXIRT-UHFFFAOYSA-N
XLogP10.27
TPSA697.07 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002276.73
LogP ≤ 510.27
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159951330
4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 147979907
4-amino-7-[(3-ethylphenyl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159255276
methane;methyl 3-[[(6-amino-5-nitro-2-pyrazol-1-ylpyrimidin-4-yl)-ethoxycarbonylamino]methyl]benzoate;methyl 3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]benzoate;oxygen(2-)
CID 167582928
4-amino-7-[(6-methyl-3-pyridinyl)methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 147919325
4-amino-7-[(3-ethylphenyl)methyl]-2-(pentylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 163985248
N-[(4-amino-7-benzyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)-oxo-propyl-λ6-sulfanylidene]pentanamide
CID 160708622
benzyl 3-(diethoxyphosphorylmethyl)benzoate
CID 10926532
[3-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl]methyl-methylphosphinic acid
CID 68840552
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
3-(1-methoxyethenyl)aniline
CID 89340134
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride?
The IUPAC name of 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride (CID 162007497) is 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride.
What is the SMILES notation for 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride?
The canonical SMILES for 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride is C=C(O)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.C=C(OC)c1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.CCOP(=O)(Cc1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1)OCC.CP(=O)(O)Cc1cccc(CN2C(=O)Cc3c(N)nc(-n4cccn4)nc32)c1.Cc1cccc(CN2C(=O)Cc3c(N)nc(-c4ccn[nH]4)nc32)[n+]1O.Cl.Nc1nc(-n2cccn2)nc2c1CC(=O)N2Cc1cccc(CO)c1.
What is the InChIKey of 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride?
The InChIKey is KUZRVWQPRNXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N6O4P.C19H18N6O2.C18H19N6O3P.C18H16N6O2.C17H16N6O2.C16H16N7O2.ClH/c1-3-30-32(29,31-4-2)14-16-8-5-7-15(11-16)13-26-18(28)12-17-19(22)24-21(25-20(17)26)27-10-6-9-23-27;1-12(27-2)14-6-3-5-13(9-14)11-24-16(26)10-15-17(20)22-19(23-18(15)24)25-8-4-7-21-25;1-28(26,27)11-13-5-2-4-12(8-13)10-23-15(25)9-14-16(19)21-18(22-17(14)23)24-7-3-6-20-24;1-11(25)13-5-2-4-12(8-13)10-23-15(26)9-14-16(19)21-18(22-17(14)23)24-7-3-6-20-24;18-15-13-8-14(25)22(9-11-3-1-4-12(7-11)10-24)16(13)21-17(20-15)23-6-2-5-19-23;1-9-3-2-4-10(23(9)25)8-22-13(24)7-11-14(17)19-15(20-16(11)22)12-5-6-18-21-12;/h5-11H,3-4,12-14H2,1-2H3,(H2,22,24,25);3-9H,1,10-11H2,2H3,(H2,20,22,23);2-8H,9-11H2,1H3,(H,26,27)(H2,19,21,22);2-8,25H,1,9-10H2,(H2,19,21,22);1-7,24H,8-10H2,(H2,18,20,21);2-6,25H,7-8H2,1H3,(H,18,21)(H2,17,19,20);1H/q;;;;;+1;.
What are the key properties of 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride?
4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride has a molecular weight of 2276.73 g/mol, XLogP of 10.27, 30 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[[3-(diethoxyphosphorylmethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-hydroxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[(1-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]-2-(1H-pyrazol-5-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-amino-7-[[3-(1-methoxyethenyl)phenyl]methyl]-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;[3-[(4-amino-6-oxo-2-pyrazol-1-yl-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenyl]methyl-methylphosphinic acid;hydrochloride is sourced from PubChem (CID 162007497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).