[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone

C16H21N7O — CID 166616769

IUPAC[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESNc1nccc(C2CCN(C(=O)c3n[nH]c4c3CCNC4)CC2)n1
InChIInChI=1S/C16H21N7O/c17-16-19-6-2-12(20-16)10-3-7-23(8-4-10)15(24)14-11-1-5-18-9-13(11)21-22-14/h2,6,10,18H,1,3-5,7-9H2,(H,21,22)(H2,17,19,20)
InChIKeyANESJEMAKZSXJF-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.45
Rot. Bonds2

About [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone

[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (PubChem CID 166616769) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
PubChem CID166616769
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
SMILESNc1nccc(C2CCN(C(=O)c3n[nH]c4c3CCNC4)CC2)n1
InChIInChI=1S/C16H21N7O/c17-16-19-6-2-12(20-16)10-3-7-23(8-4-10)15(24)14-11-1-5-18-9-13(11)21-22-14/h2,6,10,18H,1,3-5,7-9H2,(H,21,22)(H2,17,19,20)
InChIKeyANESJEMAKZSXJF-UHFFFAOYSA-N
XLogP0.45
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The IUPAC name of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone (CID 166616769) is [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The canonical SMILES for [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is Nc1nccc(C2CCN(C(=O)c3n[nH]c4c3CCNC4)CC2)n1.
What is the InChIKey of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
The InChIKey is ANESJEMAKZSXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c17-16-19-6-2-12(20-16)10-3-7-23(8-4-10)15(24)14-11-1-5-18-9-13(11)21-22-14/h2,6,10,18H,1,3-5,7-9H2,(H,21,22)(H2,17,19,20).
What are the key properties of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone?
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone is sourced from PubChem (CID 166616769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).