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

C25H29N5O3 — CID 134340563

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccnn3C)c2C)c(=O)[nH]1
InChIInChI=1S/C25H29N5O3/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5/h6-12,18H,13-14H2,1-5H3,(H,26,31)(H,28,32)
InChIKeyWSXHXLGCDGFPEI-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.49
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide (PubChem CID 134340563) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide
PubChem CID134340563
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccnn3C)c2C)c(=O)[nH]1
InChIInChI=1S/C25H29N5O3/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5/h6-12,18H,13-14H2,1-5H3,(H,26,31)(H,28,32)
InChIKeyWSXHXLGCDGFPEI-UHFFFAOYSA-N
XLogP3.49
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide (CID 134340563) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccnn3C)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide?
The InChIKey is WSXHXLGCDGFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5/h6-12,18H,13-14H2,1-5H3,(H,26,31)(H,28,32).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 134340563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).