(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone

C20H13ClFN3O — CID 91123214

IUPAC(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(Cc2ccccc2F)nc1)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C20H13ClFN3O/c21-14-8-16-17(11-25-20(16)24-10-14)19(26)13-5-6-15(23-9-13)7-12-3-1-2-4-18(12)22/h1-6,8-11H,7H2,(H,24,25)
InChIKeyWWXOOVXFOKUDIG-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.57
Rot. Bonds4

About (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone

(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone (PubChem CID 91123214) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
PubChem CID91123214
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(Cc2ccccc2F)nc1)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C20H13ClFN3O/c21-14-8-16-17(11-25-20(16)24-10-14)19(26)13-5-6-15(23-9-13)7-12-3-1-2-4-18(12)22/h1-6,8-11H,7H2,(H,24,25)
InChIKeyWWXOOVXFOKUDIG-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]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

Vemurafenib
CID 42611257
Plx-4720
CID 24180719
Elbimilast
CID 9803446
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
(4-Chlorophenyl)-[5-(1-Piperidin-4-Ylpyrazol-4-Yl)-1~{h}-Pyrrolo[2,3-B]pyridin-3-Yl]methanone
CID 122164606
JAK1 inhibitor 38a
CID 155757100
4-[[(2R,4R)-1-[(4-chlorophenyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162659181
4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 132451818
(2-chlorophenyl)-[5-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 101884433
N-[3-(6-chloro-3-pyridinyl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766724
5-(4-chlorophenyl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
CID 60164663
N-[4-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-3,5-difluorophenyl]propane-1-sulfonamide
CID 90120675

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone?
The IUPAC name of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone (CID 91123214) is (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone.
What is the SMILES notation for (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone?
The canonical SMILES for (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone is O=C(c1ccc(Cc2ccccc2F)nc1)c1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone?
The InChIKey is WWXOOVXFOKUDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-14-8-16-17(11-25-20(16)24-10-14)19(26)13-5-6-15(23-9-13)7-12-3-1-2-4-18(12)22/h1-6,8-11H,7H2,(H,24,25).
What are the key properties of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone?
(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone has a molecular weight of 365.80 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone is sourced from PubChem (CID 91123214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).