N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine

C24H25ClN6O2 — CID 135335515

IUPACN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(Nc5ccncn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H25ClN6O2/c1-32-21-13-22(33-2)19(25)12-18(21)20-14-31-10-6-17(11-24(31)29-20)30-8-4-16(5-9-30)28-23-3-7-26-15-27-23/h3,6-7,10-16H,4-5,8-9H2,1-2H3,(H,26,27,28)
InChIKeyRVHUWQSVBSNYBA-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.54
Rot. Bonds6

About N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 135335515) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID135335515
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(Nc5ccncn5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H25ClN6O2/c1-32-21-13-22(33-2)19(25)12-18(21)20-14-31-10-6-17(11-24(31)29-20)30-8-4-16(5-9-30)28-23-3-7-26-15-27-23/h3,6-7,10-16H,4-5,8-9H2,1-2H3,(H,26,27,28)
InChIKeyRVHUWQSVBSNYBA-UHFFFAOYSA-N
XLogP4.54
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine (CID 135335515) is N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(OC)c(-c2cn3ccc(N4CCC(Nc5ccncn5)CC4)cc3n2)cc1Cl.
What is the InChIKey of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is RVHUWQSVBSNYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-32-21-13-22(33-2)19(25)12-18(21)20-14-31-10-6-17(11-24(31)29-20)30-8-4-16(5-9-30)28-23-3-7-26-15-27-23/h3,6-7,10-16H,4-5,8-9H2,1-2H3,(H,26,27,28).
What are the key properties of N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 464.96 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 135335515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).