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

C21H28N6O — CID 139341893

IUPAC3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCc1cnc(N)c2c(-c3cc(C4CC4)nn3C3CCCCO3)nn(C(C)C)c12
InChIInChI=1S/C21H28N6O/c1-12(2)26-20-13(3)11-23-21(22)18(20)19(25-26)16-10-15(14-7-8-14)24-27(16)17-6-4-5-9-28-17/h10-12,14,17H,4-9H2,1-3H3,(H2,22,23)
InChIKeyYRDNBQKRINXYIS-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.34
Rot. Bonds4

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

3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 139341893) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
PubChem CID139341893
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCc1cnc(N)c2c(-c3cc(C4CC4)nn3C3CCCCO3)nn(C(C)C)c12
InChIInChI=1S/C21H28N6O/c1-12(2)26-20-13(3)11-23-21(22)18(20)19(25-26)16-10-15(14-7-8-14)24-27(16)17-6-4-5-9-28-17/h10-12,14,17H,4-9H2,1-3H3,(H2,22,23)
InChIKeyYRDNBQKRINXYIS-UHFFFAOYSA-N
XLogP4.34
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-ethyl-1-methyl-1H-pyrazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71548179
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
3-(1-cyclopentylpyrazol-4-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 56941359
3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 56941360
N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71736610
3-(pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71736769
5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292698
7-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 90292716
US10214537, Example 16
CID 130363152
7-[2-(4-Methylpiperazin-1-yl)-4-pyridinyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 132209432
US10214537, Example 17
CID 132210009
5-[5-[(1S,5R)-3-(oxetan-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 145962299

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (CID 139341893) is 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is Cc1cnc(N)c2c(-c3cc(C4CC4)nn3C3CCCCO3)nn(C(C)C)c12.
What is the InChIKey of 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is YRDNBQKRINXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-12(2)26-20-13(3)11-23-21(22)18(20)19(25-26)16-10-15(14-7-8-14)24-27(16)17-6-4-5-9-28-17/h10-12,14,17H,4-9H2,1-3H3,(H2,22,23).
What are the key properties of 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 380.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopropyl-1-(oxan-2-yl)pyrazol-5-yl]-7-methyl-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 139341893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).