N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide

C25H30N6O — CID 23761035

IUPACN-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(C)Nc1c(-c2ccc(C#N)cc2)nc2cc(C(=O)NC3CCC(N)CC3)ccn12
InChIInChI=1S/C25H30N6O/c1-25(2,3)30-23-22(17-6-4-16(15-26)5-7-17)29-21-14-18(12-13-31(21)23)24(32)28-20-10-8-19(27)9-11-20/h4-7,12-14,19-20,30H,8-11,27H2,1-3H3,(H,28,32)
InChIKeyPDMOSYPSAUQYFJ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.08
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide

N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23761035) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23761035
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(C)Nc1c(-c2ccc(C#N)cc2)nc2cc(C(=O)NC3CCC(N)CC3)ccn12
InChIInChI=1S/C25H30N6O/c1-25(2,3)30-23-22(17-6-4-16(15-26)5-7-17)29-21-14-18(12-13-31(21)23)24(32)28-20-10-8-19(27)9-11-20/h4-7,12-14,19-20,30H,8-11,27H2,1-3H3,(H,28,32)
InChIKeyPDMOSYPSAUQYFJ-UHFFFAOYSA-N
XLogP4.08
TPSA108.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.08
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-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 23761035) is N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide is CC(C)(C)Nc1c(-c2ccc(C#N)cc2)nc2cc(C(=O)NC3CCC(N)CC3)ccn12.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is PDMOSYPSAUQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-25(2,3)30-23-22(17-6-4-16(15-26)5-7-17)29-21-14-18(12-13-31(21)23)24(32)28-20-10-8-19(27)9-11-20/h4-7,12-14,19-20,30H,8-11,27H2,1-3H3,(H,28,32).
What are the key properties of N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
N-(4-aminocyclohexyl)-3-(tert-butylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.08, 4 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-cyanophenyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23761035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).