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

C32H37F3N6O4 — CID 134340982

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
InChIInChI=1S/C32H37F3N6O4/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,42)(H,38,43)
InChIKeyBNJXDEVYOHGSOD-UHFFFAOYSA-N
MW626.68 g/mol
LogP4.49
Rot. Bonds9

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 134340982) has the molecular formula C32H37F3N6O4 and a molecular weight of 626.68 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID134340982
Molecular FormulaC32H37F3N6O4
Molecular Weight626.68 g/mol
Exact Mass626.28
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
InChIInChI=1S/C32H37F3N6O4/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,42)(H,38,43)
InChIKeyBNJXDEVYOHGSOD-UHFFFAOYSA-N
XLogP4.49
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.68
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-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-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 134340982) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-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-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-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-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is BNJXDEVYOHGSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N6O4/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,42)(H,38,43).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 626.68 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 134340982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).