4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine

C23H25N7O2 — CID 68593439

IUPAC4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1Nc1ncc(OC)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H25N7O2/c1-31-19-13-16(29-11-8-24-9-12-29)6-7-17(19)27-23-26-15-20(32-2)22(28-23)18-14-25-21-5-3-4-10-30(18)21/h3-7,10,13-15,24H,8-9,11-12H2,1-2H3,(H,26,27,28)
InChIKeyQHJQIKZLGIKSBQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.96
Rot. Bonds6

About 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine

4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine (PubChem CID 68593439) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
PubChem CID68593439
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(N2CCNCC2)ccc1Nc1ncc(OC)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H25N7O2/c1-31-19-13-16(29-11-8-24-9-12-29)6-7-17(19)27-23-26-15-20(32-2)22(28-23)18-14-25-21-5-3-4-10-30(18)21/h3-7,10,13-15,24H,8-9,11-12H2,1-2H3,(H,26,27,28)
InChIKeyQHJQIKZLGIKSBQ-UHFFFAOYSA-N
XLogP2.96
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
5-chloro-N-(2-methoxy-4-piperazin-1-ylphenyl)-4-[7-(methylaminomethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 173096872
1-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propan-2-ol
CID 68606042
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 68593342
5-chloro-4-N-[2-[2-[[5-chloro-2-(2-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 155142747
5-chloro-4-N-(2-dimethylphosphanyloxyphenyl)-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 175543402
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine (CID 68593439) is 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine is COc1cc(N2CCNCC2)ccc1Nc1ncc(OC)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
The InChIKey is QHJQIKZLGIKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-31-19-13-16(29-11-8-24-9-12-29)6-7-17(19)27-23-26-15-20(32-2)22(28-23)18-14-25-21-5-3-4-10-30(18)21/h3-7,10,13-15,24H,8-9,11-12H2,1-2H3,(H,26,27,28).
What are the key properties of 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine?
4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine has a molecular weight of 431.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 68593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).