N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide

C19H15F2N5O — CID 135303191

IUPACN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2n1
InChIInChI=1S/C19H15F2N5O/c1-26-10-22-9-15(26)19(27)25-16-7-6-11-8-14(23-18(11)24-16)12-4-2-3-5-13(12)17(20)21/h2-10,17H,1H3,(H2,23,24,25,27)
InChIKeyGZXJHXWXPOKYRW-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.15
Rot. Bonds4

About N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide

N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide (PubChem CID 135303191) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide
PubChem CID135303191
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2n1
InChIInChI=1S/C19H15F2N5O/c1-26-10-22-9-15(26)19(27)25-16-7-6-11-8-14(23-18(11)24-16)12-4-2-3-5-13(12)17(20)21/h2-10,17H,1H3,(H2,23,24,25,27)
InChIKeyGZXJHXWXPOKYRW-UHFFFAOYSA-N
XLogP4.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide (CID 135303191) is N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)F)[nH]c2n1.
What is the InChIKey of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide?
The InChIKey is GZXJHXWXPOKYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-26-10-22-9-15(26)19(27)25-16-7-6-11-8-14(23-18(11)24-16)12-4-2-3-5-13(12)17(20)21/h2-10,17H,1H3,(H2,23,24,25,27).
What are the key properties of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide?
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 135303191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).