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

C23H23ClN6O2 — CID 56663564

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN6O2/c1-31-20-12-16(15-29-8-10-32-11-9-29)5-6-18(20)27-23-26-13-17(24)22(28-23)19-14-25-21-4-2-3-7-30(19)21/h2-7,12-14H,8-11,15H2,1H3,(H,26,27,28)
InChIKeyNXQPJQJTOHVJDX-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.03
Rot. Bonds6

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

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine (PubChem CID 56663564) 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-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
PubChem CID56663564
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-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN6O2/c1-31-20-12-16(15-29-8-10-32-11-9-29)5-6-18(20)27-23-26-13-17(24)22(28-23)19-14-25-21-4-2-3-7-30(19)21/h2-7,12-14H,8-11,15H2,1H3,(H,26,27,28)
InChIKeyNXQPJQJTOHVJDX-UHFFFAOYSA-N
XLogP4.03
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine (CID 56663564) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine is COc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine?
The InChIKey is NXQPJQJTOHVJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-31-20-12-16(15-29-8-10-32-11-9-29)5-6-18(20)27-23-26-13-17(24)22(28-23)19-14-25-21-4-2-3-7-30(19)21/h2-7,12-14H,8-11,15H2,1H3,(H,26,27,28).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine has a molecular weight of 450.93 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 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-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56663564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).