(3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride

C22H21ClF5N7O — CID 175539034

About (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride

(3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride (PubChem CID 175539034) has the molecular formula C22H21ClF5N7O and a molecular weight of 529.90 g/mol. Its IUPAC name is (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride
• PubChem CID: 175539034
• Molecular Formula: C22H21ClF5N7O
• Molecular Weight: 529.90 g/mol
• Exact Mass: 529.14
• IUPAC Name: (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride
• SMILES: Cl.NC1CCCCN(C(=O)c2cc3c(cn2)c(-c2cnc4c(F)cc(F)cn24)nn3C(F)C(F)F)C1
• InChI: InChI=1S/C22H20F5N7O.ClH/c23-11-5-14(24)21-30-8-17(33(21)9-11)18-13-7-29-15(6-16(13)34(31-18)20(27)19(25)26)22(35)32-4-2-1-3-12(28)10-32;/h5-9,12,19-20H,1-4,10,28H2;1H
• InChIKey: OGTRNUDLZUDDQN-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 94.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.90
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride?

The IUPAC name of (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride (CID 175539034) is (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride.

What is the SMILES notation for (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride?

The canonical SMILES for (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride is Cl.NC1CCCCN(C(=O)c2cc3c(cn2)c(-c2cnc4c(F)cc(F)cn24)nn3C(F)C(F)F)C1.

What is the InChIKey of (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride?

The InChIKey is OGTRNUDLZUDDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N7O.ClH/c23-11-5-14(24)21-30-8-17(33(21)9-11)18-13-7-29-15(6-16(13)34(31-18)20(27)19(25)26)22(35)32-4-2-1-3-12(28)10-32;/h5-9,12,19-20H,1-4,10,28H2;1H.

What are the key properties of (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride?

(3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride has a molecular weight of 529.90 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride is sourced from PubChem (CID 175539034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).