7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine

C20H25BrN6O — CID 139331316

IUPAC7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CC3)nn2C2CCCCO2)c2c(N)ncc(Br)c21
InChIInChI=1S/C20H25BrN6O/c1-11(2)26-19-13(21)10-23-20(22)17(19)18(25-26)15-9-14(12-6-7-12)24-27(15)16-5-3-4-8-28-16/h9-12,16H,3-8H2,1-2H3,(H2,22,23)
InChIKeyPFUREWVGMPIBOV-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.80
Rot. Bonds4

About 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine

7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 139331316) has the molecular formula C20H25BrN6O and a molecular weight of 445.37 g/mol. Its IUPAC name is 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
PubChem CID139331316
Molecular FormulaC20H25BrN6O
Molecular Weight445.37 g/mol
Exact Mass444.13
IUPAC Name7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2cc(C3CC3)nn2C2CCCCO2)c2c(N)ncc(Br)c21
InChIInChI=1S/C20H25BrN6O/c1-11(2)26-19-13(21)10-23-20(22)17(19)18(25-26)15-9-14(12-6-7-12)24-27(15)16-5-3-4-8-28-16/h9-12,16H,3-8H2,1-2H3,(H2,22,23)
InChIKeyPFUREWVGMPIBOV-UHFFFAOYSA-N
XLogP4.80
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (CID 139331316) is 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is CC(C)n1nc(-c2cc(C3CC3)nn2C2CCCCO2)c2c(N)ncc(Br)c21.
What is the InChIKey of 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is PFUREWVGMPIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN6O/c1-11(2)26-19-13(21)10-23-20(22)17(19)18(25-26)15-9-14(12-6-7-12)24-27(15)16-5-3-4-8-28-16/h9-12,16H,3-8H2,1-2H3,(H2,22,23).
What are the key properties of 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 445.37 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 139331316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).