5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C16H20N8 — CID 90104246

IUPAC5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1nn(C2CCNC2)cc1Nc1nc(C2CCC2)nc2cn[nH]c12
InChIInChI=1S/C16H20N8/c1-2-10(3-1)15-21-13-8-18-23-14(13)16(22-15)20-11-6-19-24(9-11)12-4-5-17-7-12/h6,8-10,12,17H,1-5,7H2,(H,18,23)(H,20,21,22)
InChIKeyOSMJWRLDHORNAI-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.09
Rot. Bonds4

About 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104246) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104246
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1nn(C2CCNC2)cc1Nc1nc(C2CCC2)nc2cn[nH]c12
InChIInChI=1S/C16H20N8/c1-2-10(3-1)15-21-13-8-18-23-14(13)16(22-15)20-11-6-19-24(9-11)12-4-5-17-7-12/h6,8-10,12,17H,1-5,7H2,(H,18,23)(H,20,21,22)
InChIKeyOSMJWRLDHORNAI-UHFFFAOYSA-N
XLogP2.09
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104246) is 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is c1nn(C2CCNC2)cc1Nc1nc(C2CCC2)nc2cn[nH]c12.
What is the InChIKey of 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OSMJWRLDHORNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-2-10(3-1)15-21-13-8-18-23-14(13)16(22-15)20-11-6-19-24(9-11)12-4-5-17-7-12/h6,8-10,12,17H,1-5,7H2,(H,18,23)(H,20,21,22).
What are the key properties of 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 324.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).