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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Related Compounds

5-(7-bicyclo[4.1.0]heptanyl)-N-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104316
N-(1-tert-butylpyrazol-4-yl)-5-cyclopropyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90105278
5-(cyclobutadienyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104553
5-cyclobutyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103505
N-[1-(oxan-4-yl)pyrazol-4-yl]-5-pyridazin-3-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 118380564
5-(3-aminophenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103873
1-[4-[4-[[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 118380638
N-[5-chloro-1-(2-methoxyethyl)pyrazol-4-yl]-5-cyclobutyl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90104465
N-[3-[7-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-1H-pyrazolo[4,5-d]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 118380588
5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 90103675
6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride
CID 138596711
1-[4-[4-[[5-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 118380612

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).