6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C19H17F2N7O — CID 146935042

About 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 146935042) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 146935042
• Molecular Formula: C19H17F2N7O
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.15
• IUPAC Name: 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: NC(=O)c1cnc2ccc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)cn12
• InChI: InChI=1S/C19H17F2N7O/c20-14(21)10-26-7-5-12(25-26)17-18(27-6-1-2-16(27)24-17)11-3-4-15-23-8-13(19(22)29)28(15)9-11/h3-5,7-9,14H,1-2,6,10H2,(H2,22,29)
• InChIKey: AFTKLZVGRIIGRD-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 96.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 146935042) is 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)cn12.

What is the InChIKey of 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is AFTKLZVGRIIGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-14(21)10-26-7-5-12(25-26)17-18(27-6-1-2-16(27)24-17)11-3-4-15-23-8-13(19(22)29)28(15)9-11/h3-5,7-9,14H,1-2,6,10H2,(H2,22,29).

What are the key properties of 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 146935042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).