N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide

C27H28N6O4S — CID 138733408

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)OCc2nccs2)c1C
InChIInChI=1S/C27H28N6O4S/c1-15-11-23(36-4)20(27(35)31-15)13-29-26(34)19-12-22-18(21-5-7-30-32-21)6-9-33(22)25(16(19)2)17(3)37-14-24-28-8-10-38-24/h5-12,17H,13-14H2,1-4H3,(H,29,34)(H,30,32)(H,31,35)
InChIKeyDPBJTLODUKODGK-UHFFFAOYSA-N
MW532.63 g/mol
LogP4.31
Rot. Bonds9

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide (PubChem CID 138733408) has the molecular formula C27H28N6O4S and a molecular weight of 532.63 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide
PubChem CID138733408
Molecular FormulaC27H28N6O4S
Molecular Weight532.63 g/mol
Exact Mass532.19
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)OCc2nccs2)c1C
InChIInChI=1S/C27H28N6O4S/c1-15-11-23(36-4)20(27(35)31-15)13-29-26(34)19-12-22-18(21-5-7-30-32-21)6-9-33(22)25(16(19)2)17(3)37-14-24-28-8-10-38-24/h5-12,17H,13-14H2,1-4H3,(H,29,34)(H,30,32)(H,31,35)
InChIKeyDPBJTLODUKODGK-UHFFFAOYSA-N
XLogP4.31
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.63
LogP ≤ 54.31
H-Bond Donors ≤ 53
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]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide (CID 138733408) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccn[nH]3)ccn2c(C(C)OCc2nccs2)c1C.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is DPBJTLODUKODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S/c1-15-11-23(36-4)20(27(35)31-15)13-29-26(34)19-12-22-18(21-5-7-30-32-21)6-9-33(22)25(16(19)2)17(3)37-14-24-28-8-10-38-24/h5-12,17H,13-14H2,1-4H3,(H,29,34)(H,30,32)(H,31,35).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide has a molecular weight of 532.63 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 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]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 138733408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).