5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine

C24H24ClN7O2 — CID 56670458

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(N2CC3CNCC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H24ClN7O2/c1-33-21-8-15(31-13-16-9-26-10-17(14-31)34-16)5-6-19(21)29-24-28-11-18(25)23(30-24)20-12-27-22-4-2-3-7-32(20)22/h2-8,11-12,16-17,26H,9-10,13-14H2,1H3,(H,28,29,30)
InChIKeyPGKJSVHLRWKLSO-UHFFFAOYSA-N
MW477.96 g/mol
LogP3.37
Rot. Bonds5

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine (PubChem CID 56670458) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine
PubChem CID56670458
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(N2CC3CNCC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H24ClN7O2/c1-33-21-8-15(31-13-16-9-26-10-17(14-31)34-16)5-6-19(21)29-24-28-11-18(25)23(30-24)20-12-27-22-4-2-3-7-32(20)22/h2-8,11-12,16-17,26H,9-10,13-14H2,1H3,(H,28,29,30)
InChIKeyPGKJSVHLRWKLSO-UHFFFAOYSA-N
XLogP3.37
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine (CID 56670458) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine is COc1cc(N2CC3CNCC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine?
The InChIKey is PGKJSVHLRWKLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-33-21-8-15(31-13-16-9-26-10-17(14-31)34-16)5-6-19(21)29-24-28-11-18(25)23(30-24)20-12-27-22-4-2-3-7-32(20)22/h2-8,11-12,16-17,26H,9-10,13-14H2,1H3,(H,28,29,30).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine has a molecular weight of 477.96 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56670458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).