3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine

C25H25N7O — CID 139331328

IUPAC3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2cnn(Cc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C25H25N7O/c1-15(2)32-19-10-11-27-25(26)21(19)22(29-32)23-20(24(33-30-23)17-8-9-17)18-12-28-31(14-18)13-16-6-4-3-5-7-16/h3-7,10-12,14-15,17H,8-9,13H2,1-2H3,(H2,26,27)
InChIKeyXVKYHRUELKGRQD-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.04
Rot. Bonds6

About 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine

3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (PubChem CID 139331328) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
PubChem CID139331328
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2cnn(Cc3ccccc3)c2)c2c(N)nccc21
InChIInChI=1S/C25H25N7O/c1-15(2)32-19-10-11-27-25(26)21(19)22(29-32)23-20(24(33-30-23)17-8-9-17)18-12-28-31(14-18)13-16-6-4-3-5-7-16/h3-7,10-12,14-15,17H,8-9,13H2,1-2H3,(H2,26,27)
InChIKeyXVKYHRUELKGRQD-UHFFFAOYSA-N
XLogP5.04
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (CID 139331328) is 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2-c2cnn(Cc3ccccc3)c2)c2c(N)nccc21.
What is the InChIKey of 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is XVKYHRUELKGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-15(2)32-19-10-11-27-25(26)21(19)22(29-32)23-20(24(33-30-23)17-8-9-17)18-12-28-31(14-18)13-16-6-4-3-5-7-16/h3-7,10-12,14-15,17H,8-9,13H2,1-2H3,(H2,26,27).
What are the key properties of 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 439.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 139331328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).