7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine

C14H17N7 — CID 167902903

IUPAC7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
SMILESCC1Cc2[nH]ncc2CN(c2ncnc3c2cnn3C)C1
InChIInChI=1S/C14H17N7/c1-9-3-12-10(4-17-19-12)7-21(6-9)14-11-5-18-20(2)13(11)15-8-16-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyCXLPIGCJGDOZQW-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.29
Rot. Bonds1

About 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine

7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine (PubChem CID 167902903) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine.

Molecular Properties

Compound Name7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
PubChem CID167902903
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
SMILESCC1Cc2[nH]ncc2CN(c2ncnc3c2cnn3C)C1
InChIInChI=1S/C14H17N7/c1-9-3-12-10(4-17-19-12)7-21(6-9)14-11-5-18-20(2)13(11)15-8-16-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyCXLPIGCJGDOZQW-UHFFFAOYSA-N
XLogP1.29
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine?
The IUPAC name of 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine (CID 167902903) is 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine.
What is the SMILES notation for 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine?
The canonical SMILES for 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine is CC1Cc2[nH]ncc2CN(c2ncnc3c2cnn3C)C1.
What is the InChIKey of 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine?
The InChIKey is CXLPIGCJGDOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-9-3-12-10(4-17-19-12)7-21(6-9)14-11-5-18-20(2)13(11)15-8-16-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine?
7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine has a molecular weight of 283.34 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine is sourced from PubChem (CID 167902903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).