[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

C17H22N4O — CID 92583314

IUPAC[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC(c2nn(C)c3ncccc23)CC1
InChIInChI=1S/C17H22N4O/c1-11-10-14(11)17(22)21-8-5-12(6-9-21)15-13-4-3-7-18-16(13)20(2)19-15/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyOUXSZDWLCSLSDP-FZMZJTMJSA-N
MW298.39 g/mol
LogP2.33
Rot. Bonds2

About [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone

[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 92583314) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID92583314
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC(c2nn(C)c3ncccc23)CC1
InChIInChI=1S/C17H22N4O/c1-11-10-14(11)17(22)21-8-5-12(6-9-21)15-13-4-3-7-18-16(13)20(2)19-15/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyOUXSZDWLCSLSDP-FZMZJTMJSA-N
XLogP2.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

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R121919
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3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
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CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
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1-[3-(4-Methylpiperazin-1-yl)propyl]-4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1,2-dihydropyridin-2-one
CID 5329470
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 92583314) is [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is C[C@H]1C[C@@H]1C(=O)N1CCC(c2nn(C)c3ncccc23)CC1.
What is the InChIKey of [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is OUXSZDWLCSLSDP-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-10-14(11)17(22)21-8-5-12(6-9-21)15-13-4-3-7-18-16(13)20(2)19-15/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone?
[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92583314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).