5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide

C32H39F3N8O3 — CID 134340932

IUPAC5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(NC)c3)ncn12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C32H39F3N8O3/c1-6-42(22-8-11-41(12-9-22)17-32(33,34)35)31-20(3)23(29(44)38-16-24-26(46-5)13-19(2)40-30(24)45)15-25-28(39-18-43(25)31)21-7-10-37-27(14-21)36-4/h7,10,13-15,18,22H,6,8-9,11-12,16-17H2,1-5H3,(H,36,37)(H,38,44)(H,40,45)
InChIKeyZUDVBHNNCCTMAY-UHFFFAOYSA-N
MW640.71 g/mol
LogP4.53
Rot. Bonds10

About 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide

5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 134340932) has the molecular formula C32H39F3N8O3 and a molecular weight of 640.71 g/mol. Its IUPAC name is 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide
PubChem CID134340932
Molecular FormulaC32H39F3N8O3
Molecular Weight640.71 g/mol
Exact Mass640.31
IUPAC Name5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(NC)c3)ncn12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C32H39F3N8O3/c1-6-42(22-8-11-41(12-9-22)17-32(33,34)35)31-20(3)23(29(44)38-16-24-26(46-5)13-19(2)40-30(24)45)15-25-28(39-18-43(25)31)21-7-10-37-27(14-21)36-4/h7,10,13-15,18,22H,6,8-9,11-12,16-17H2,1-5H3,(H,36,37)(H,38,44)(H,40,45)
InChIKeyZUDVBHNNCCTMAY-UHFFFAOYSA-N
XLogP4.53
TPSA119.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.71
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide (CID 134340932) is 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide is CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(NC)c3)ncn12)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is ZUDVBHNNCCTMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F3N8O3/c1-6-42(22-8-11-41(12-9-22)17-32(33,34)35)31-20(3)23(29(44)38-16-24-26(46-5)13-19(2)40-30(24)45)15-25-28(39-18-43(25)31)21-7-10-37-27(14-21)36-4/h7,10,13-15,18,22H,6,8-9,11-12,16-17H2,1-5H3,(H,36,37)(H,38,44)(H,40,45).
What are the key properties of 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide?
5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 640.71 g/mol, XLogP of 4.53, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]imidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 134340932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).