3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide

C22H23N5O2S — CID 97446925

IUPAC3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
SMILESCc1nc(Cn2cnc(-c3cc(C(=O)NC[C@H]4CCCO4)c4ccccn34)c2)cs1
InChIInChI=1S/C22H23N5O2S/c1-15-25-16(13-30-15)11-26-12-19(24-14-26)21-9-18(20-6-2-3-7-27(20)21)22(28)23-10-17-5-4-8-29-17/h2-3,6-7,9,12-14,17H,4-5,8,10-11H2,1H3,(H,23,28)/t17-/m1/s1
InChIKeyRNTYZUPLFHJMIT-QGZVFWFLSA-N
MW421.53 g/mol
LogP3.52
Rot. Bonds6

About 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide

3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide (PubChem CID 97446925) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide.

Molecular Properties

Compound Name3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
PubChem CID97446925
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide
SMILESCc1nc(Cn2cnc(-c3cc(C(=O)NC[C@H]4CCCO4)c4ccccn34)c2)cs1
InChIInChI=1S/C22H23N5O2S/c1-15-25-16(13-30-15)11-26-12-19(24-14-26)21-9-18(20-6-2-3-7-27(20)21)22(28)23-10-17-5-4-8-29-17/h2-3,6-7,9,12-14,17H,4-5,8,10-11H2,1H3,(H,23,28)/t17-/m1/s1
InChIKeyRNTYZUPLFHJMIT-QGZVFWFLSA-N
XLogP3.52
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446923
3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447006
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51339938
N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97361988
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069566
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3871100
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069475
3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069484
(5S)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124804274
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide?
The IUPAC name of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide (CID 97446925) is 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide.
What is the SMILES notation for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide?
The canonical SMILES for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide is Cc1nc(Cn2cnc(-c3cc(C(=O)NC[C@H]4CCCO4)c4ccccn34)c2)cs1.
What is the InChIKey of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide?
The InChIKey is RNTYZUPLFHJMIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-25-16(13-30-15)11-26-12-19(24-14-26)21-9-18(20-6-2-3-7-27(20)21)22(28)23-10-17-5-4-8-29-17/h2-3,6-7,9,12-14,17H,4-5,8,10-11H2,1H3,(H,23,28)/t17-/m1/s1.
What are the key properties of 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide?
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]indolizine-1-carboxamide is sourced from PubChem (CID 97446925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).