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

C19H15F2N5O — CID 135296611

IUPACN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1
InChIInChI=1S/C19H15F2N5O/c1-26-7-6-22-18(26)19(27)25-16-9-14-11(10-23-16)8-15(24-14)12-4-2-3-5-13(12)17(20)21/h2-10,17,24H,1H3,(H,23,25,27)
InChIKeyJCWQYVGVKVQNSA-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.15
Rot. Bonds4

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

N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide (PubChem CID 135296611) 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[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide
PubChem CID135296611
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1
InChIInChI=1S/C19H15F2N5O/c1-26-7-6-22-18(26)19(27)25-16-9-14-11(10-23-16)8-15(24-14)12-4-2-3-5-13(12)17(20)21/h2-10,17,24H,1H3,(H,23,25,27)
InChIKeyJCWQYVGVKVQNSA-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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Related Compounds

CID 121280694
CID 121280694
CID 53341457
CID 53341457
CID 46216378
CID 46216378
CID 165348
CID 165348
CID 10024175
CID 10024175
CID 44437220
CID 44437220
CID 44561736
CID 44561736
CID 53341544
CID 53341544
CID 44137901
CID 44137901
CID 44431994
CID 44431994
CID 44444862
CID 44444862
CID 44444864
CID 44444864

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide (CID 135296611) is N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1cc2[nH]c(-c3ccccc3C(F)F)cc2cn1.
What is the InChIKey of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is JCWQYVGVKVQNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-26-7-6-22-18(26)19(27)25-16-9-14-11(10-23-16)8-15(24-14)12-4-2-3-5-13(12)17(20)21/h2-10,17,24H,1H3,(H,23,25,27).
What are the key properties of N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide?
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-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[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 135296611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).