N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide

C25H33N5O2 — CID 23793822

IUPACN-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCOc1ccc(-c2nc3c(C(=O)NC4CCC(N)CC4)cccn3c2NC(C)(C)C)cc1
InChIInChI=1S/C25H33N5O2/c1-25(2,3)29-23-21(16-7-13-19(32-4)14-8-16)28-22-20(6-5-15-30(22)23)24(31)27-18-11-9-17(26)10-12-18/h5-8,13-15,17-18,29H,9-12,26H2,1-4H3,(H,27,31)
InChIKeyLCQWBQQLDZWSBK-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.22
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide

N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 23793822) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID23793822
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCOc1ccc(-c2nc3c(C(=O)NC4CCC(N)CC4)cccn3c2NC(C)(C)C)cc1
InChIInChI=1S/C25H33N5O2/c1-25(2,3)29-23-21(16-7-13-19(32-4)14-8-16)28-22-20(6-5-15-30(22)23)24(31)27-18-11-9-17(26)10-12-18/h5-8,13-15,17-18,29H,9-12,26H2,1-4H3,(H,27,31)
InChIKeyLCQWBQQLDZWSBK-UHFFFAOYSA-N
XLogP4.22
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 23793822) is N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide is COc1ccc(-c2nc3c(C(=O)NC4CCC(N)CC4)cccn3c2NC(C)(C)C)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is LCQWBQQLDZWSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-25(2,3)29-23-21(16-7-13-19(32-4)14-8-16)28-22-20(6-5-15-30(22)23)24(31)27-18-11-9-17(26)10-12-18/h5-8,13-15,17-18,29H,9-12,26H2,1-4H3,(H,27,31).
What are the key properties of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 23793822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).