1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C73H87F6N15O5 — CID 161221962

About 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 161221962) has the molecular formula C73H87F6N15O5 and a molecular weight of 1368.59 g/mol. Its IUPAC name is 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 161221962
• Molecular Formula: C73H87F6N15O5
• Molecular Weight: 1368.59 g/mol
• Exact Mass: 1367.69
• IUPAC Name: 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: Cc1c(C(=O)NCc2c(=O)[nH]c(C)c3ccccc23)cc2c(-c3ccc(N4CCC(N)CC4)nc3)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4cnn(C5CCOCC5)c4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C39H45F3N8O2.C34H42F3N7O3/c1-24-32(37(51)45-22-33-31-7-5-4-6-29(31)25(2)46-38(33)52)20-34-30(27-8-9-35(44-21-27)49-13-10-28(43)11-14-49)12-15-50(34)36(24)26(3)48-18-16-47(17-19-48)23-39(40,41)42;1-21-15-22(2)40-33(46)29(21)18-38-32(45)28-16-30-27(25-17-39-44(19-25)26-6-13-47-14-7-26)5-8-43(30)31(23(28)3)24(4)42-11-9-41(10-12-42)20-34(35,36)37/h4-9,12,15,20-21,26,28H,10-11,13-14,16-19,22-23,43H2,1-3H3,(H,45,51)(H,46,52);5,8,15-17,19,24,26H,6-7,9-14,18,20H2,1-4H3,(H,38,45)(H,40,46)
• InChIKey: UXQAUOYQGASEKP-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 214.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.59
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

The IUPAC name of 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 161221962) is 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

What is the SMILES notation for 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

The canonical SMILES for 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is Cc1c(C(=O)NCc2c(=O)[nH]c(C)c3ccccc23)cc2c(-c3ccc(N4CCC(N)CC4)nc3)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4cnn(C5CCOCC5)c4)ccn3c(C(C)N3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1.

What is the InChIKey of 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

The InChIKey is UXQAUOYQGASEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45F3N8O2.C34H42F3N7O3/c1-24-32(37(51)45-22-33-31-7-5-4-6-29(31)25(2)46-38(33)52)20-34-30(27-8-9-35(44-21-27)49-13-10-28(43)11-14-49)12-15-50(34)36(24)26(3)48-18-16-47(17-19-48)23-39(40,41)42;1-21-15-22(2)40-33(46)29(21)18-38-32(45)28-16-30-27(25-17-39-44(19-25)26-6-13-47-14-7-26)5-8-43(30)31(23(28)3)24(4)42-11-9-41(10-12-42)20-34(35,36)37/h4-9,12,15,20-21,26,28H,10-11,13-14,16-19,22-23,43H2,1-3H3,(H,45,51)(H,46,52);5,8,15-17,19,24,26H,6-7,9-14,18,20H2,1-4H3,(H,38,45)(H,40,46).

What are the key properties of 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?

1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 1368.59 g/mol, XLogP of 10.50, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 161221962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).