N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide

C25H26N6O — CID 97362442

IUPACN-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3ccc(N4CCN(c5ncccn5)CC4)n3c2)c1
InChIInChI=1S/C25H26N6O/c1-18-4-5-19(2)22(16-18)28-24(32)20-6-7-21-8-9-23(31(21)17-20)29-12-14-30(15-13-29)25-26-10-3-11-27-25/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)
InChIKeyKCLHNSFMPODZRA-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.93
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide

N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide (PubChem CID 97362442) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide
PubChem CID97362442
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3ccc(N4CCN(c5ncccn5)CC4)n3c2)c1
InChIInChI=1S/C25H26N6O/c1-18-4-5-19(2)22(16-18)28-24(32)20-6-7-21-8-9-23(31(21)17-20)29-12-14-30(15-13-29)25-26-10-3-11-27-25/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)
InChIKeyKCLHNSFMPODZRA-UHFFFAOYSA-N
XLogP3.93
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide (CID 97362442) is N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc3ccc(N4CCN(c5ncccn5)CC4)n3c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide?
The InChIKey is KCLHNSFMPODZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-18-4-5-19(2)22(16-18)28-24(32)20-6-7-21-8-9-23(31(21)17-20)29-12-14-30(15-13-29)25-26-10-3-11-27-25/h3-11,16-17H,12-15H2,1-2H3,(H,28,32).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide?
N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide is sourced from PubChem (CID 97362442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).