1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone

C24H24ClN7O3 — CID 56667011

IUPAC1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone
SMILESCOc1cc(N2CCN(C(=O)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H24ClN7O3/c1-35-20-12-16(30-8-10-31(11-9-30)22(34)15-33)5-6-18(20)28-24-27-13-17(25)23(29-24)19-14-26-21-4-2-3-7-32(19)21/h2-7,12-14,33H,8-11,15H2,1H3,(H,27,28,29)
InChIKeyIWQGPODHFRYDTL-UHFFFAOYSA-N
MW493.96 g/mol
LogP2.84
Rot. Bonds6

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

1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 56667011) has the molecular formula C24H24ClN7O3 and a molecular weight of 493.96 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID56667011
Molecular FormulaC24H24ClN7O3
Molecular Weight493.96 g/mol
Exact Mass493.16
IUPAC Name1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone
SMILESCOc1cc(N2CCN(C(=O)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H24ClN7O3/c1-35-20-12-16(30-8-10-31(11-9-30)22(34)15-33)5-6-18(20)28-24-27-13-17(25)23(29-24)19-14-26-21-4-2-3-7-32(19)21/h2-7,12-14,33H,8-11,15H2,1H3,(H,27,28,29)
InChIKeyIWQGPODHFRYDTL-UHFFFAOYSA-N
XLogP2.84
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone (CID 56667011) is 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone is COc1cc(N2CCN(C(=O)CO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is IWQGPODHFRYDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O3/c1-35-20-12-16(30-8-10-31(11-9-30)22(34)15-33)5-6-18(20)28-24-27-13-17(25)23(29-24)19-14-26-21-4-2-3-7-32(19)21/h2-7,12-14,33H,8-11,15H2,1H3,(H,27,28,29).
What are the key properties of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 493.96 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 56667011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).