1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine

C69H67ClN24OP+3 — CID 123601400

IUPAC1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine
SMILESCOc1ccc2[nH]c(-c3nn(C(C)[n+]4cnc5c(c(-c6cc7c(Cl)cccc7[nH]6)nn5C(C)[n+]5cnc6c(c(-c7cc8c(C)cccc8[nH]7)nn6C(C)C)c5N)c4N)c4nc[n+](C5CNCCC5Cn5nc(-c6ccc7cc(P)ccc7c6)c6c(N)ncnc65)c(N)c34)cc2c1
InChIInChI=1S/C69H64ClN24OP/c1-33(2)92-67-55(60(85-92)51-25-44-34(3)9-7-11-48(44)82-51)63(72)88(30-78-67)35(4)93-68-56(61(87-93)52-26-45-46(70)10-8-12-49(45)83-52)64(73)89(31-79-68)36(5)94-69-57(59(86-94)50-24-41-22-42(95-6)16-18-47(41)81-50)65(74)90(32-80-69)53-27-75-20-19-40(53)28-91-66-54(62(71)76-29-77-66)58(84-91)39-14-13-38-23-43(96)17-15-37(38)21-39/h7-18,21-26,29-33,35-36,40,53,72-75H,19-20,27-28,96H2,1-6H3,(H5,71,76,77,81,82,83,84,85,86,87)/p+3
InChIKeyUXRIQAONCMRNMO-UHFFFAOYSA-Q
MW1314.89 g/mol
LogP9.55
Rot. Bonds13

About 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine

1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine (PubChem CID 123601400) has the molecular formula C69H67ClN24OP+3 and a molecular weight of 1314.89 g/mol. Its IUPAC name is 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine.

Molecular Properties

Compound Name1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine
PubChem CID123601400
Molecular FormulaC69H67ClN24OP+3
Molecular Weight1314.89 g/mol
Exact Mass1313.53
IUPAC Name1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine
SMILESCOc1ccc2[nH]c(-c3nn(C(C)[n+]4cnc5c(c(-c6cc7c(Cl)cccc7[nH]6)nn5C(C)[n+]5cnc6c(c(-c7cc8c(C)cccc8[nH]7)nn6C(C)C)c5N)c4N)c4nc[n+](C5CNCCC5Cn5nc(-c6ccc7cc(P)ccc7c6)c6c(N)ncnc65)c(N)c34)cc2c1
InChIInChI=1S/C69H64ClN24OP/c1-33(2)92-67-55(60(85-92)51-25-44-34(3)9-7-11-48(44)82-51)63(72)88(30-78-67)35(4)93-68-56(61(87-93)52-26-45-46(70)10-8-12-49(45)83-52)64(73)89(31-79-68)36(5)94-69-57(59(86-94)50-24-41-22-42(95-6)16-18-47(41)81-50)65(74)90(32-80-69)53-27-75-20-19-40(53)28-91-66-54(62(71)76-29-77-66)58(84-91)39-14-13-38-23-43(96)17-15-37(38)21-39/h7-18,21-26,29-33,35-36,40,53,72-75H,19-20,27-28,96H2,1-6H3,(H5,71,76,77,81,82,83,84,85,86,87)/p+3
InChIKeyUXRIQAONCMRNMO-UHFFFAOYSA-Q
XLogP9.55
TPSA320.08 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001314.89
LogP ≤ 59.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine with MolForge

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Related Compounds

N-[1-[4-[2-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-cyclopropyl-1-[4-[2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidin-4-yl]-5-methylpiperazin-2-yl]pyrazol-3-yl]amino]pyrimidin-4-yl]-6-methylpiperazin-2-yl]-5-methylpyrazol-3-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-fluoropiperidin-1-yl)pyrimidin-4-amine
CID 163444827
5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine;2-[3-[4-[(4-propan-2-ylcyclohexyl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
CID 164951301
8-N-(2-chloro-5-methylphenyl)-3-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine;3-N,8-N-dimethyl-8-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine;8-N-[(3,5-dimethylphenyl)methyl]-3-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine;8-N-ethyl-3-N-methyl-8-N-naphthalen-1-yl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine;8-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine;3-N-methyl-8-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine;3-N-methyl-8-N-(3-pyrrolidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 157545008
1-(1H-indol-3-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(6-methoxynaphthalen-2-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-quinolin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(3-propan-2-ylphenyl)methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-1-pyridin-3-ylmethanimine
CID 157683784
4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,6-difluorophenol;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(3,5-difluoro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1,3-dimethyl-3H-inden-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene
CID 158143182
3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole
CID 158492821
6,7-Dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)
CID 158938719
N-[(2-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-[(4-methoxyphenyl)methyl]-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-[(4-methoxyphenyl)methyl]-6-(4-phenylpiperazin-1-yl)-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraene;9-[(4-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine
CID 159287541
3-(4-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(7-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159398560
2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indole-5-carbonitrile;3-(5-fluoro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 160364668
9-benzyl-N-butyl-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-benzyl-N-[2-(4-chloro-3-methylphenyl)ethyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;N-benzyl-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-benzyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine;9-benzyl-N-(3-piperidin-1-ylpropyl)-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7-tetraen-6-amine
CID 160569495
2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-cyclopentyl-3-(1H-indol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-4-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 160886562

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine?
The IUPAC name of 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine (CID 123601400) is 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine.
What is the SMILES notation for 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine?
The canonical SMILES for 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine is COc1ccc2[nH]c(-c3nn(C(C)[n+]4cnc5c(c(-c6cc7c(Cl)cccc7[nH]6)nn5C(C)[n+]5cnc6c(c(-c7cc8c(C)cccc8[nH]7)nn6C(C)C)c5N)c4N)c4nc[n+](C5CNCCC5Cn5nc(-c6ccc7cc(P)ccc7c6)c6c(N)ncnc65)c(N)c34)cc2c1.
What is the InChIKey of 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine?
The InChIKey is UXRIQAONCMRNMO-UHFFFAOYSA-Q. The full InChI is InChI=1S/C69H64ClN24OP/c1-33(2)92-67-55(60(85-92)51-25-44-34(3)9-7-11-48(44)82-51)63(72)88(30-78-67)35(4)93-68-56(61(87-93)52-26-45-46(70)10-8-12-49(45)83-52)64(73)89(31-79-68)36(5)94-69-57(59(86-94)50-24-41-22-42(95-6)16-18-47(41)81-50)65(74)90(32-80-69)53-27-75-20-19-40(53)28-91-66-54(62(71)76-29-77-66)58(84-91)39-14-13-38-23-43(96)17-15-37(38)21-39/h7-18,21-26,29-33,35-36,40,53,72-75H,19-20,27-28,96H2,1-6H3,(H5,71,76,77,81,82,83,84,85,86,87)/p+3.
What are the key properties of 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine?
1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine has a molecular weight of 1314.89 g/mol, XLogP of 9.55, 13 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-amino-1-[1-[4-amino-3-(4-methyl-1H-indol-2-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-3-(4-chloro-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-5-yl]ethyl]-5-[4-[[4-amino-3-(6-phosphanylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-3-yl]-3-(5-methoxy-1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-5-ium-4-amine is sourced from PubChem (CID 123601400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).