1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C24H23ClFN7O2 — CID 56680336

IUPAC1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(F)ccn23)n1
InChIInChI=1S/C24H23ClFN7O2/c1-15(34)31-7-9-32(10-8-31)17-3-4-19(21(12-17)35-2)29-24-28-13-18(25)23(30-24)20-14-27-22-11-16(26)5-6-33(20)22/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,30)
InChIKeyIHWMYKUSPDQHOB-UHFFFAOYSA-N
MW495.95 g/mol
LogP4.00
Rot. Bonds5

About 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56680336) has the molecular formula C24H23ClFN7O2 and a molecular weight of 495.95 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56680336
Molecular FormulaC24H23ClFN7O2
Molecular Weight495.95 g/mol
Exact Mass495.16
IUPAC Name1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(F)ccn23)n1
InChIInChI=1S/C24H23ClFN7O2/c1-15(34)31-7-9-32(10-8-31)17-3-4-19(21(12-17)35-2)29-24-28-13-18(25)23(30-24)20-14-27-22-11-16(26)5-6-33(20)22/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,30)
InChIKeyIHWMYKUSPDQHOB-UHFFFAOYSA-N
XLogP4.00
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.95
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[4-[[5-Chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
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Pruvonertinib
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N-[4-[[4-(2-acetamidoanilino)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]pyrrolidine-1-carboxamide
CID 155519814
N-[4-[[4-(2-acetamidoanilino)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]morpholine-4-carboxamide
CID 155559863
[4-(4-Chloro-phenoxy)-6-methyl-pyrimidin-2-yl]-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-amine
CID 44192598
4-N-(4-chlorophenyl)-2-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 44193178
N4-(2-chloro-6-fluorophenyl)-N7-(2-(dimethylamino)ethyl)-8-methoxyimidazo[1,5-a]quinoxaline-4,7-diamine
CID 44337501
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-1,4-diazepan-1-yl]ethanone
CID 45380509
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 45380693
2-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-(piperidin-4-yloxy)phenyl)pyrimidin-2-amine
CID 45380791
1-(4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenoxy)piperidin-1-yl)ethanone
CID 45380893

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56680336) is 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(F)ccn23)n1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is IHWMYKUSPDQHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN7O2/c1-15(34)31-7-9-32(10-8-31)17-3-4-19(21(12-17)35-2)29-24-28-13-18(25)23(30-24)20-14-27-22-11-16(26)5-6-33(20)22/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 495.95 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-chloro-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).