[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone

C16H16N6O — CID 124963907

IUPAC[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C16H16N6O/c23-16(14-5-6-17-10-18-14)22-7-1-2-12(9-22)13-4-3-11-8-19-21-15(11)20-13/h3-6,8,10,12H,1-2,7,9H2,(H,19,20,21)/t12-/m0/s1
InChIKeyHTONQKMQWVBZPL-LBPRGKRZSA-N
MW308.34 g/mol
LogP1.77
Rot. Bonds2

About [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone

[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 124963907) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID124963907
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C16H16N6O/c23-16(14-5-6-17-10-18-14)22-7-1-2-12(9-22)13-4-3-11-8-19-21-15(11)20-13/h3-6,8,10,12H,1-2,7,9H2,(H,19,20,21)/t12-/m0/s1
InChIKeyHTONQKMQWVBZPL-LBPRGKRZSA-N
XLogP1.77
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118698
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124981162
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
CID 124980416
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 163344506
6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone (CID 124963907) is [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is HTONQKMQWVBZPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(14-5-6-17-10-18-14)22-7-1-2-12(9-22)13-4-3-11-8-19-21-15(11)20-13/h3-6,8,10,12H,1-2,7,9H2,(H,19,20,21)/t12-/m0/s1.
What are the key properties of [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 308.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 124963907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).