N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H23N5O — CID 42788270

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N(CCCc1ccccc1)Cc1cnc[nH]1
InChIInChI=1S/C22H23N5O/c1-17-21(27-13-6-5-11-20(27)25-17)22(28)26(15-19-14-23-16-24-19)12-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13-14,16H,7,10,12,15H2,1H3,(H,23,24)
InChIKeyCGVWVUHRJXLWQP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.64
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 42788270) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID42788270
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N(CCCc1ccccc1)Cc1cnc[nH]1
InChIInChI=1S/C22H23N5O/c1-17-21(27-13-6-5-11-20(27)25-17)22(28)26(15-19-14-23-16-24-19)12-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13-14,16H,7,10,12,15H2,1H3,(H,23,24)
InChIKeyCGVWVUHRJXLWQP-UHFFFAOYSA-N
XLogP3.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 42788270) is N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)N(CCCc1ccccc1)Cc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CGVWVUHRJXLWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-21(27-13-6-5-11-20(27)25-17)22(28)26(15-19-14-23-16-24-19)12-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13-14,16H,7,10,12,15H2,1H3,(H,23,24).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-N-(3-phenylpropyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 42788270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).