(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol

C18H13ClF2N4O — CID 58065923

IUPAC(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol
SMILESCn1cc(-c2ccc(F)c(C(O)c3c[nH]c4ncc(Cl)cc34)c2F)cn1
InChIInChI=1S/C18H13ClF2N4O/c1-25-8-9(5-24-25)11-2-3-14(20)15(16(11)21)17(26)13-7-23-18-12(13)4-10(19)6-22-18/h2-8,17,26H,1H3,(H,22,23)
InChIKeyWMXHPMGOWRFRGM-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.98
Rot. Bonds3

About (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol

(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol (PubChem CID 58065923) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol
PubChem CID58065923
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol
SMILESCn1cc(-c2ccc(F)c(C(O)c3c[nH]c4ncc(Cl)cc34)c2F)cn1
InChIInChI=1S/C18H13ClF2N4O/c1-25-8-9(5-24-25)11-2-3-14(20)15(16(11)21)17(26)13-7-23-18-12(13)4-10(19)6-22-18/h2-8,17,26H,1H3,(H,22,23)
InChIKeyWMXHPMGOWRFRGM-UHFFFAOYSA-N
XLogP3.98
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol 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 (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol?
The IUPAC name of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol (CID 58065923) is (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol.
What is the SMILES notation for (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol?
The canonical SMILES for (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol is Cn1cc(-c2ccc(F)c(C(O)c3c[nH]c4ncc(Cl)cc34)c2F)cn1.
What is the InChIKey of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol?
The InChIKey is WMXHPMGOWRFRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c1-25-8-9(5-24-25)11-2-3-14(20)15(16(11)21)17(26)13-7-23-18-12(13)4-10(19)6-22-18/h2-8,17,26H,1H3,(H,22,23).
What are the key properties of (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol?
(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol has a molecular weight of 374.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-(1-methylpyrazol-4-yl)phenyl]methanol is sourced from PubChem (CID 58065923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).