1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine

C61H62F3N15O2 — CID 161408644

IUPAC1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine
SMILESCCn1nc(NCc2ccc(F)cc2)cc1C(OC)c1c[nH]c2ncccc12.CCn1nc(NCc2ccc(F)cc2)cc1C=O.CCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
InChIInChI=1S/C21H22FN5O.C20H20FN5.C13H14FN3O.C7H6N2/c1-3-27-18(11-19(26-27)24-12-14-6-8-15(22)9-7-14)20(28-2)17-13-25-21-16(17)5-4-10-23-21;1-2-26-17(10-15-13-24-20-18(15)4-3-9-22-20)11-19(25-26)23-12-14-5-7-16(21)8-6-14;1-2-17-12(9-18)7-13(16-17)15-8-10-3-5-11(14)6-4-10;1-2-6-3-5-9-7(6)8-4-1/h4-11,13,20H,3,12H2,1-2H3,(H,23,25)(H,24,26);3-9,11,13H,2,10,12H2,1H3,(H,22,24)(H,23,25);3-7,9H,2,8H2,1H3,(H,15,16);1-5H,(H,8,9)
InChIKeyVVEIXMRAQLYKJK-UHFFFAOYSA-N
MW1094.26 g/mol
LogP12.42
Rot. Bonds18

About 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine

1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 161408644) has the molecular formula C61H62F3N15O2 and a molecular weight of 1094.26 g/mol. Its IUPAC name is 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine
PubChem CID161408644
Molecular FormulaC61H62F3N15O2
Molecular Weight1094.26 g/mol
Exact Mass1093.52
IUPAC Name1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine
SMILESCCn1nc(NCc2ccc(F)cc2)cc1C(OC)c1c[nH]c2ncccc12.CCn1nc(NCc2ccc(F)cc2)cc1C=O.CCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
InChIInChI=1S/C21H22FN5O.C20H20FN5.C13H14FN3O.C7H6N2/c1-3-27-18(11-19(26-27)24-12-14-6-8-15(22)9-7-14)20(28-2)17-13-25-21-16(17)5-4-10-23-21;1-2-26-17(10-15-13-24-20-18(15)4-3-9-22-20)11-19(25-26)23-12-14-5-7-16(21)8-6-14;1-2-17-12(9-18)7-13(16-17)15-8-10-3-5-11(14)6-4-10;1-2-6-3-5-9-7(6)8-4-1/h4-11,13,20H,3,12H2,1-2H3,(H,23,25)(H,24,26);3-9,11,13H,2,10,12H2,1H3,(H,22,24)(H,23,25);3-7,9H,2,8H2,1H3,(H,15,16);1-5H,(H,8,9)
InChIKeyVVEIXMRAQLYKJK-UHFFFAOYSA-N
XLogP12.42
TPSA201.89 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001094.26
LogP ≤ 512.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
CID 122446309
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 157260141
4-amino-1-(3-phenylmethoxycyclobutyl)pyrazolo[3,4-d]pyrimidine-3-carbaldehyde;3-bromo-1-(3-phenylmethoxycyclobutyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-ethenyl-1-(3-phenylmethoxycyclobutyl)pyrazolo[3,4-d]pyrimidin-4-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-fluoro-1H-indole;methane
CID 157629942
5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium
CID 157637252
(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
CID 157689310
1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine
CID 157689344
Ethyl 1-(2-fluoro-4-pyridinyl)-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 4-(4-methoxypiperidin-1-yl)-3-propan-2-yl-1-(2-pyrrolidin-1-yl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate;pyrrolidine
CID 157781547
3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]-[5-fluoro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;N-[(3-chlorophenyl)methyl]-5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-methylpyrazol-3-amine;(5-fluoro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 157789881
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide;6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 157858008
3-[4-(4,5-dihydro-1H-imidazol-2-yl)-5-ethylpyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine;ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 157879494
(Z)-3-(dimethylamino)-2-fluoroprop-2-enal;ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate;ethyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 158955760
1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;4-fluorobenzaldehyde;methyl 3-amino-1-ethylpyrazole-5-carboxylate;methyl 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carboxylate;methyl 1-ethyl-3-nitropyrazole-5-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;5-nitro-1H-pyrazole-3-carboxylic acid;1H-pyrrolo[2,3-b]pyridine
CID 159053999

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine (CID 161408644) is 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine is CCn1nc(NCc2ccc(F)cc2)cc1C(OC)c1c[nH]c2ncccc12.CCn1nc(NCc2ccc(F)cc2)cc1C=O.CCn1nc(NCc2ccc(F)cc2)cc1Cc1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.
What is the InChIKey of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VVEIXMRAQLYKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O.C20H20FN5.C13H14FN3O.C7H6N2/c1-3-27-18(11-19(26-27)24-12-14-6-8-15(22)9-7-14)20(28-2)17-13-25-21-16(17)5-4-10-23-21;1-2-26-17(10-15-13-24-20-18(15)4-3-9-22-20)11-19(25-26)23-12-14-5-7-16(21)8-6-14;1-2-17-12(9-18)7-13(16-17)15-8-10-3-5-11(14)6-4-10;1-2-6-3-5-9-7(6)8-4-1/h4-11,13,20H,3,12H2,1-2H3,(H,23,25)(H,24,26);3-9,11,13H,2,10,12H2,1H3,(H,22,24)(H,23,25);3-7,9H,2,8H2,1H3,(H,15,16);1-5H,(H,8,9).
What are the key properties of 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine?
1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1094.26 g/mol, XLogP of 12.42, 18 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-fluorophenyl)methylamino]pyrazole-5-carbaldehyde;1-ethyl-N-[(4-fluorophenyl)methyl]-5-[methoxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazol-3-amine;1-ethyl-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-3-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161408644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).