5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H19N7O — CID 90103675

IUPAC5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1nn(C(C)C)cc1Nc1nc(C2CC2)nc2cn[nH]c12
InChIInChI=1S/C15H19N7O/c1-8(2)22-7-11(15(21-22)23-3)18-14-12-10(6-16-20-12)17-13(19-14)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyBSNMCWPBVBYMCB-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.76
Rot. Bonds5

About 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90103675) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90103675
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1nn(C(C)C)cc1Nc1nc(C2CC2)nc2cn[nH]c12
InChIInChI=1S/C15H19N7O/c1-8(2)22-7-11(15(21-22)23-3)18-14-12-10(6-16-20-12)17-13(19-14)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyBSNMCWPBVBYMCB-UHFFFAOYSA-N
XLogP2.76
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.76
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-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90103675) is 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COc1nn(C(C)C)cc1Nc1nc(C2CC2)nc2cn[nH]c12.
What is the InChIKey of 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BSNMCWPBVBYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-8(2)22-7-11(15(21-22)23-3)18-14-12-10(6-16-20-12)17-13(19-14)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 313.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90103675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).