4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide

C26H28ClN7O2 — CID 45381642

IUPAC4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1cc(C2CCN(C(=O)N(C)C)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C26H28ClN7O2/c1-32(2)26(35)33-12-9-17(10-13-33)18-7-8-20(22(14-18)36-3)30-25-29-15-19(27)24(31-25)21-16-28-23-6-4-5-11-34(21)23/h4-8,11,14-17H,9-10,12-13H2,1-3H3,(H,29,30,31)
InChIKeyIXTZQAQFVGPSLV-UHFFFAOYSA-N
MW506.01 g/mol
LogP5.06
Rot. Bonds5

About 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 45381642) has the molecular formula C26H28ClN7O2 and a molecular weight of 506.01 g/mol. Its IUPAC name is 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID45381642
Molecular FormulaC26H28ClN7O2
Molecular Weight506.01 g/mol
Exact Mass505.20
IUPAC Name4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOc1cc(C2CCN(C(=O)N(C)C)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C26H28ClN7O2/c1-32(2)26(35)33-12-9-17(10-13-33)18-7-8-20(22(14-18)36-3)30-25-29-15-19(27)24(31-25)21-16-28-23-6-4-5-11-34(21)23/h4-8,11,14-17H,9-10,12-13H2,1-3H3,(H,29,30,31)
InChIKeyIXTZQAQFVGPSLV-UHFFFAOYSA-N
XLogP5.06
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167
2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]acetaldehyde
CID 90732446
[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
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 68608062
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-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methylamino]ethanol
CID 68593290
N-[5-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(dimethylamino)methyl]-4-methoxyphenyl]prop-2-enamide
CID 73291995
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol
CID 68608177
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide (CID 45381642) is 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide is COc1cc(C2CCN(C(=O)N(C)C)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is IXTZQAQFVGPSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O2/c1-32(2)26(35)33-12-9-17(10-13-33)18-7-8-20(22(14-18)36-3)30-25-29-15-19(27)24(31-25)21-16-28-23-6-4-5-11-34(21)23/h4-8,11,14-17H,9-10,12-13H2,1-3H3,(H,29,30,31).
What are the key properties of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 506.01 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 45381642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).