3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine

C24H24ClN7O2 — CID 134436608

IUPAC3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H24ClN7O2/c1-33-18-6-19(24-20(25)8-29-32(24)14-18)21-9-27-22(10-26-21)30-12-16-5-17(13-30)31(16)11-15-3-4-23(34-2)28-7-15/h3-4,6-10,14,16-17H,5,11-13H2,1-2H3
InChIKeyKXQVQWZJSGRXDZ-UHFFFAOYSA-N
MW477.96 g/mol
LogP3.32
Rot. Bonds6

About 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine

3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine (PubChem CID 134436608) has the molecular formula C24H24ClN7O2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine
PubChem CID134436608
Molecular FormulaC24H24ClN7O2
Molecular Weight477.96 g/mol
Exact Mass477.17
IUPAC Name3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)cn2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H24ClN7O2/c1-33-18-6-19(24-20(25)8-29-32(24)14-18)21-9-27-22(10-26-21)30-12-16-5-17(13-30)31(16)11-15-3-4-23(34-2)28-7-15/h3-4,6-10,14,16-17H,5,11-13H2,1-2H3
InChIKeyKXQVQWZJSGRXDZ-UHFFFAOYSA-N
XLogP3.32
TPSA80.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine (CID 134436608) is 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine is COc1cc(-c2cnc(N3CC4CC(C3)N4Cc3ccc(OC)nc3)cn2)c2c(Cl)cnn2c1.
What is the InChIKey of 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is KXQVQWZJSGRXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O2/c1-33-18-6-19(24-20(25)8-29-32(24)14-18)21-9-27-22(10-26-21)30-12-16-5-17(13-30)31(16)11-15-3-4-23(34-2)28-7-15/h3-4,6-10,14,16-17H,5,11-13H2,1-2H3.
What are the key properties of 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine?
3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 477.96 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 134436608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).