N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C19H16FN5O — CID 170634528

IUPACN-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1
InChIInChI=1S/C19H16FN5O/c1-11-3-4-15(20)17(5-11)24-19(26)13-6-12-7-16(23-18(12)21-8-13)14-9-22-25(2)10-14/h3-10H,1-2H3,(H,21,23)(H,24,26)
InChIKeyYRGYQHFNNINYBG-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.66
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634528) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID170634528
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1
InChIInChI=1S/C19H16FN5O/c1-11-3-4-15(20)17(5-11)24-19(26)13-6-12-7-16(23-18(12)21-8-13)14-9-22-25(2)10-14/h3-10H,1-2H3,(H,21,23)(H,24,26)
InChIKeyYRGYQHFNNINYBG-UHFFFAOYSA-N
XLogP3.66
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634528) is N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ccc(F)c(NC(=O)c2cnc3[nH]c(-c4cnn(C)c4)cc3c2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is YRGYQHFNNINYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-11-3-4-15(20)17(5-11)24-19(26)13-6-12-7-16(23-18(12)21-8-13)14-9-22-25(2)10-14/h3-10H,1-2H3,(H,21,23)(H,24,26).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).