(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone

C23H22FN5O — CID 118676646

IUPAC(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H22FN5O/c24-19-4-2-1-3-18(19)23(30)28-10-7-16(8-11-28)15-29-12-9-21-22(29)6-5-20(27-21)17-13-25-26-14-17/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,25,26)
InChIKeyYAUYETYKMJZNSH-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.12
Rot. Bonds4

About (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 118676646) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID118676646
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1
InChIInChI=1S/C23H22FN5O/c24-19-4-2-1-3-18(19)23(30)28-10-7-16(8-11-28)15-29-12-9-21-22(29)6-5-20(27-21)17-13-25-26-14-17/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,25,26)
InChIKeyYAUYETYKMJZNSH-UHFFFAOYSA-N
XLogP4.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone (CID 118676646) is (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(Cn2ccc3nc(-c4cn[nH]c4)ccc32)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is YAUYETYKMJZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-19-4-2-1-3-18(19)23(30)28-10-7-16(8-11-28)15-29-12-9-21-22(29)6-5-20(27-21)17-13-25-26-14-17/h1-6,9,12-14,16H,7-8,10-11,15H2,(H,25,26).
What are the key properties of (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 403.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118676646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).