5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine

C23H23ClN6O2 — CID 45380791

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN6O2/c1-31-20-12-16(32-15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29)
InChIKeyDVNORHCAMSIRBE-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.33
Rot. Bonds6

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine (PubChem CID 45380791) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine
PubChem CID45380791
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN6O2/c1-31-20-12-16(32-15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29)
InChIKeyDVNORHCAMSIRBE-UHFFFAOYSA-N
XLogP4.33
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine (CID 45380791) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine is COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is DVNORHCAMSIRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-31-20-12-16(32-15-7-9-25-10-8-15)5-6-18(20)28-23-27-13-17(24)22(29-23)19-14-26-21-4-2-3-11-30(19)21/h2-6,11-15,25H,7-10H2,1H3,(H,27,28,29).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 450.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 45380791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).