4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

C23H22ClN5O — CID 10180400

IUPAC4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCOc1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C23H22ClN5O/c1-30-17-9-4-6-15(14-17)20-21(29-13-5-10-18(24)22(29)28-20)19-11-12-25-23(27-19)26-16-7-2-3-8-16/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,25,26,27)
InChIKeySMLNJXMGWIHMTO-UHFFFAOYSA-N
MW419.92 g/mol
LogP5.47
Rot. Bonds5

About 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 10180400) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID10180400
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCOc1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C23H22ClN5O/c1-30-17-9-4-6-15(14-17)20-21(29-13-5-10-18(24)22(29)28-20)19-11-12-25-23(27-19)26-16-7-2-3-8-16/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,25,26,27)
InChIKeySMLNJXMGWIHMTO-UHFFFAOYSA-N
XLogP5.47
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.92
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (CID 10180400) is 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is COc1cccc(-c2nc3c(Cl)cccn3c2-c2ccnc(NC3CCCC3)n2)c1.
What is the InChIKey of 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is SMLNJXMGWIHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-30-17-9-4-6-15(14-17)20-21(29-13-5-10-18(24)22(29)28-20)19-11-12-25-23(27-19)26-16-7-2-3-8-16/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,25,26,27).
What are the key properties of 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 419.92 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 10180400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).