[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

C18H22N6O — CID 95340950

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCC(C)n1ncc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cnc21
InChIInChI=1S/C18H22N6O/c1-13(2)24-17-14(10-21-24)8-15(9-20-17)18(25)22-6-3-4-16(11-22)23-7-5-19-12-23/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/t16-/m1/s1
InChIKeyKXYBHCNCMANWRV-MRXNPFEDSA-N
MW338.42 g/mol
LogP2.69
Rot. Bonds3

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 95340950) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID95340950
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCC(C)n1ncc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cnc21
InChIInChI=1S/C18H22N6O/c1-13(2)24-17-14(10-21-24)8-15(9-20-17)18(25)22-6-3-4-16(11-22)23-7-5-19-12-23/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/t16-/m1/s1
InChIKeyKXYBHCNCMANWRV-MRXNPFEDSA-N
XLogP2.69
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42929602
(3-phenylpyrrolidin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 146124235
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314255
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312812
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
(5-tert-butyl-1H-pyrazol-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312993
ethyl 4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate
CID 18132052
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56821394

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 95340950) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is CC(C)n1ncc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cnc21.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is KXYBHCNCMANWRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(2)24-17-14(10-21-24)8-15(9-20-17)18(25)22-6-3-4-16(11-22)23-7-5-19-12-23/h5,7-10,12-13,16H,3-4,6,11H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 338.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 95340950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).