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

C34H41F3N6O3 — CID 156907636

IUPACN-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccnc(C(C)C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C34H41F3N6O3/c1-20(2)28-16-24(7-9-38-28)25-8-10-43-29(25)17-26(32(44)39-18-27-30(46-6)15-21(3)40-33(27)45)22(4)31(43)23(5)42-13-11-41(12-14-42)19-34(35,36)37/h7-10,15-17,20,23,27H,11-14,18-19H2,1-6H3,(H,39,44)
InChIKeyGOLBWFCXDAVHTK-UHFFFAOYSA-N
MW638.74 g/mol
LogP5.55
Rot. Bonds9

About N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907636) has the molecular formula C34H41F3N6O3 and a molecular weight of 638.74 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907636
Molecular FormulaC34H41F3N6O3
Molecular Weight638.74 g/mol
Exact Mass638.32
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccnc(C(C)C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C34H41F3N6O3/c1-20(2)28-16-24(7-9-38-28)25-8-10-43-29(25)17-26(32(44)39-18-27-30(46-6)15-21(3)40-33(27)45)22(4)31(43)23(5)42-13-11-41(12-14-42)19-34(35,36)37/h7-10,15-17,20,23,27H,11-14,18-19H2,1-6H3,(H,39,44)
InChIKeyGOLBWFCXDAVHTK-UHFFFAOYSA-N
XLogP5.55
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.74
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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-propan-2-yl-4-pyridinyl)-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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907636) is N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-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-propan-2-yl-4-pyridinyl)-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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccnc(C(C)C)c3)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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is GOLBWFCXDAVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F3N6O3/c1-20(2)28-16-24(7-9-38-28)25-8-10-43-29(25)17-26(32(44)39-18-27-30(46-6)15-21(3)40-33(27)45)22(4)31(43)23(5)42-13-11-41(12-14-42)19-34(35,36)37/h7-10,15-17,20,23,27H,11-14,18-19H2,1-6H3,(H,39,44).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 638.74 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).