3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

C19H24N6O — CID 56941359

IUPAC3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESc1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(NC2CCOCC2)n1
InChIInChI=1S/C19H24N6O/c1-2-4-15(3-1)25-12-13(11-21-25)18-17-16(23-24-18)5-8-20-19(17)22-14-6-9-26-10-7-14/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,20,22)(H,23,24)
InChIKeyHOCZVQCOUKBGFH-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.53
Rot. Bonds4

About 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 56941359) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID56941359
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESc1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(NC2CCOCC2)n1
InChIInChI=1S/C19H24N6O/c1-2-4-15(3-1)25-12-13(11-21-25)18-17-16(23-24-18)5-8-20-19(17)22-14-6-9-26-10-7-14/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,20,22)(H,23,24)
InChIKeyHOCZVQCOUKBGFH-UHFFFAOYSA-N
XLogP3.53
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 56941359) is 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is c1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(NC2CCOCC2)n1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is HOCZVQCOUKBGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-4-15(3-1)25-12-13(11-21-25)18-17-16(23-24-18)5-8-20-19(17)22-14-6-9-26-10-7-14/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,20,22)(H,23,24).
What are the key properties of 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 56941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).