6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine

C19H23N9 — CID 140943365

IUPAC6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine
SMILESCc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C19H23N9/c1-11-13(9-28(25-11)19(2,3)14-7-8-27(4)26-14)22-18-23-15(12-5-6-12)16-17(24-18)21-10-20-16/h7-10,12H,5-6H2,1-4H3,(H2,20,21,22,23,24)
InChIKeyPIXFCOQFYCBQMZ-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.00
Rot. Bonds5

About 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine

6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine (PubChem CID 140943365) has the molecular formula C19H23N9 and a molecular weight of 377.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine
PubChem CID140943365
Molecular FormulaC19H23N9
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine
SMILESCc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C19H23N9/c1-11-13(9-28(25-11)19(2,3)14-7-8-27(4)26-14)22-18-23-15(12-5-6-12)16-17(24-18)21-10-20-16/h7-10,12H,5-6H2,1-4H3,(H2,20,21,22,23,24)
InChIKeyPIXFCOQFYCBQMZ-UHFFFAOYSA-N
XLogP3.00
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine (CID 140943365) is 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine is Cc1nn(C(C)(C)c2ccn(C)n2)cc1Nc1nc(C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine?
The InChIKey is PIXFCOQFYCBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9/c1-11-13(9-28(25-11)19(2,3)14-7-8-27(4)26-14)22-18-23-15(12-5-6-12)16-17(24-18)21-10-20-16/h7-10,12H,5-6H2,1-4H3,(H2,20,21,22,23,24).
What are the key properties of 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine?
6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine has a molecular weight of 377.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-7H-purin-2-amine is sourced from PubChem (CID 140943365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).