5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C17H21N7O — CID 90103717

IUPAC5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C2CCOCC2)cc1Nc1nc(C2CC2)nc2cn[nH]c12
InChIInChI=1S/C17H21N7O/c1-10-14(9-24(23-10)12-4-6-25-7-5-12)20-17-15-13(8-18-22-15)19-16(21-17)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHSEXQDNKYCNGKO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.83
Rot. Bonds4

About 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90103717) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90103717
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C2CCOCC2)cc1Nc1nc(C2CC2)nc2cn[nH]c12
InChIInChI=1S/C17H21N7O/c1-10-14(9-24(23-10)12-4-6-25-7-5-12)20-17-15-13(8-18-22-15)19-16(21-17)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyHSEXQDNKYCNGKO-UHFFFAOYSA-N
XLogP2.83
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90103717) is 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C2CCOCC2)cc1Nc1nc(C2CC2)nc2cn[nH]c12.
What is the InChIKey of 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HSEXQDNKYCNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-14(9-24(23-10)12-4-6-25-7-5-12)20-17-15-13(8-18-22-15)19-16(21-17)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 339.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90103717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).