1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C14H17N7 — CID 97075285

IUPAC1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ncnc21
InChIInChI=1S/C14H17N7/c1-20-13-11(7-18-20)14(16-9-15-13)21-6-2-3-10(8-21)12-4-5-17-19-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyBKURINVRGPBKBV-SNVBAGLBSA-N
MW283.34 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 97075285) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID97075285
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ncnc21
InChIInChI=1S/C14H17N7/c1-20-13-11(7-18-20)14(16-9-15-13)21-6-2-3-10(8-21)12-4-5-17-19-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyBKURINVRGPBKBV-SNVBAGLBSA-N
XLogP1.47
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 97075285) is 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ncnc21.
What is the InChIKey of 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is BKURINVRGPBKBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N7/c1-20-13-11(7-18-20)14(16-9-15-13)21-6-2-3-10(8-21)12-4-5-17-19-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 283.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 97075285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).