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

C33H41F3N8O3 — CID 134340944

IUPAC1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ncn12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C33H41F3N8O3/c1-7-43(23-9-12-42(13-10-23)18-33(34,35)36)32-21(3)24(30(45)38-17-25-27(47-6)14-20(2)40-31(25)46)16-26-29(39-19-44(26)32)22-8-11-37-28(15-22)41(4)5/h8,11,14-16,19,23H,7,9-10,12-13,17-18H2,1-6H3,(H,38,45)(H,40,46)
InChIKeyGCUYZRJYMGHXJY-UHFFFAOYSA-N
MW654.74 g/mol
LogP4.56
Rot. Bonds10

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

1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 134340944) has the molecular formula C33H41F3N8O3 and a molecular weight of 654.74 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID134340944
Molecular FormulaC33H41F3N8O3
Molecular Weight654.74 g/mol
Exact Mass654.33
IUPAC Name1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ncn12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C33H41F3N8O3/c1-7-43(23-9-12-42(13-10-23)18-33(34,35)36)32-21(3)24(30(45)38-17-25-27(47-6)14-20(2)40-31(25)46)16-26-29(39-19-44(26)32)22-8-11-37-28(15-22)41(4)5/h8,11,14-16,19,23H,7,9-10,12-13,17-18H2,1-6H3,(H,38,45)(H,40,46)
InChIKeyGCUYZRJYMGHXJY-UHFFFAOYSA-N
XLogP4.56
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.74
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide (CID 134340944) is 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide is CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ncn12)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is GCUYZRJYMGHXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N8O3/c1-7-43(23-9-12-42(13-10-23)18-33(34,35)36)32-21(3)24(30(45)38-17-25-27(47-6)14-20(2)40-31(25)46)16-26-29(39-19-44(26)32)22-8-11-37-28(15-22)41(4)5/h8,11,14-16,19,23H,7,9-10,12-13,17-18H2,1-6H3,(H,38,45)(H,40,46).
What are the key properties of 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide?
1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 654.74 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 134340944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).