N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C29H35F3N8O3 — CID 156907620

IUPACN-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ncnn3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C29H35F3N8O3/c1-17-12-24(43-5)22(28(42)36-17)14-33-27(41)21-13-23-20(26-34-16-35-37(26)4)6-7-40(23)25(18(21)2)19(3)39-10-8-38(9-11-39)15-29(30,31)32/h6-7,12-13,16,19,22H,8-11,14-15H2,1-5H3,(H,33,41)
InChIKeyHBWOGNHEQVRRJY-UHFFFAOYSA-N
MW600.65 g/mol
LogP3.16
Rot. Bonds8

About N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907620) has the molecular formula C29H35F3N8O3 and a molecular weight of 600.65 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907620
Molecular FormulaC29H35F3N8O3
Molecular Weight600.65 g/mol
Exact Mass600.28
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ncnn3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C29H35F3N8O3/c1-17-12-24(43-5)22(28(42)36-17)14-33-27(41)21-13-23-20(26-34-16-35-37(26)4)6-7-40(23)25(18(21)2)19(3)39-10-8-38(9-11-39)15-29(30,31)32/h6-7,12-13,16,19,22H,8-11,14-15H2,1-5H3,(H,33,41)
InChIKeyHBWOGNHEQVRRJY-UHFFFAOYSA-N
XLogP3.16
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.65
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907620) is N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ncnn3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is HBWOGNHEQVRRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N8O3/c1-17-12-24(43-5)22(28(42)36-17)14-33-27(41)21-13-23-20(26-34-16-35-37(26)4)6-7-40(23)25(18(21)2)19(3)39-10-8-38(9-11-39)15-29(30,31)32/h6-7,12-13,16,19,22H,8-11,14-15H2,1-5H3,(H,33,41).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 600.65 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).