3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide

C23H18N6OS — CID 97446858

IUPAC3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12
InChIInChI=1S/C23H18N6OS/c30-22(27-9-7-16-5-1-3-8-25-16)17-13-21(29-12-4-2-6-20(17)29)19-15-31-23(28-19)18-14-24-10-11-26-18/h1-6,8,10-15H,7,9H2,(H,27,30)
InChIKeyKALKVVYEDHKVHY-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.89
Rot. Bonds6

About 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide

3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide (PubChem CID 97446858) has the molecular formula C23H18N6OS and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
PubChem CID97446858
Molecular FormulaC23H18N6OS
Molecular Weight426.51 g/mol
Exact Mass426.13
IUPAC Name3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12
InChIInChI=1S/C23H18N6OS/c30-22(27-9-7-16-5-1-3-8-25-16)17-13-21(29-12-4-2-6-20(17)29)19-15-31-23(28-19)18-14-24-10-11-26-18/h1-6,8,10-15H,7,9H2,(H,27,30)
InChIKeyKALKVVYEDHKVHY-UHFFFAOYSA-N
XLogP3.89
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446932
3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869533
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155857144
3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851791
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
N-butyl-1-(2-methoxyethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3544455
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
CID 91773021
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4983813
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?
The IUPAC name of 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide (CID 97446858) is 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide.
What is the SMILES notation for 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?
The canonical SMILES for 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide is O=C(NCCc1ccccn1)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12.
What is the InChIKey of 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?
The InChIKey is KALKVVYEDHKVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS/c30-22(27-9-7-16-5-1-3-8-25-16)17-13-21(29-12-4-2-6-20(17)29)19-15-31-23(28-19)18-14-24-10-11-26-18/h1-6,8,10-15H,7,9H2,(H,27,30).
What are the key properties of 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide?
3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide is sourced from PubChem (CID 97446858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).