[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C29H24FN5O — CID 167928485

IUPAC[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C29H24FN5O/c1-19-4-6-21(7-5-19)27-26(18-35(33-27)23-10-8-22(30)9-11-23)29(36)34-15-12-20(13-16-34)25-17-32-28-24(25)3-2-14-31-28/h2-12,14,17-18H,13,15-16H2,1H3,(H,31,32)
InChIKeyDREHQFVARKJZTN-UHFFFAOYSA-N
MW477.54 g/mol
LogP5.79
Rot. Bonds4

About [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 167928485) has the molecular formula C29H24FN5O and a molecular weight of 477.54 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID167928485
Molecular FormulaC29H24FN5O
Molecular Weight477.54 g/mol
Exact Mass477.20
IUPAC Name[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C29H24FN5O/c1-19-4-6-21(7-5-19)27-26(18-35(33-27)23-10-8-22(30)9-11-23)29(36)34-15-12-20(13-16-34)25-17-32-28-24(25)3-2-14-31-28/h2-12,14,17-18H,13,15-16H2,1H3,(H,31,32)
InChIKeyDREHQFVARKJZTN-UHFFFAOYSA-N
XLogP5.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone 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

(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24632252
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
4-methyl-N-(4-methylphenyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 55506969
(2-nitrophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71943403
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167753472
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
1-[5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 42032790
[4-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55850978
(2,3-dimethyl-1H-indol-5-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 55552636
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-10H-acridin-9-one
CID 154841341
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 167928485) is [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is DREHQFVARKJZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O/c1-19-4-6-21(7-5-19)27-26(18-35(33-27)23-10-8-22(30)9-11-23)29(36)34-15-12-20(13-16-34)25-17-32-28-24(25)3-2-14-31-28/h2-12,14,17-18H,13,15-16H2,1H3,(H,31,32).
What are the key properties of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 477.54 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 167928485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).