[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone

C18H18ClN5O — CID 165063551

IUPAC[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc3c(cnn3-c3cncc(Cl)c3)c2)CC1
InChIInChI=1S/C18H18ClN5O/c1-12-2-4-23(5-3-12)18(25)14-6-13-9-22-24(17(13)21-8-14)16-7-15(19)10-20-11-16/h6-12H,2-5H2,1H3
InChIKeyVFTAYIYBYKRVAA-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.34
Rot. Bonds2

About [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone

[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 165063551) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID165063551
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc3c(cnn3-c3cncc(Cl)c3)c2)CC1
InChIInChI=1S/C18H18ClN5O/c1-12-2-4-23(5-3-12)18(25)14-6-13-9-22-24(17(13)21-8-14)16-7-15(19)10-20-11-16/h6-12H,2-5H2,1H3
InChIKeyVFTAYIYBYKRVAA-UHFFFAOYSA-N
XLogP3.34
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
[5-(3,5-dichloroanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227164
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
CID 167672967
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 71880992
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
N-cyclohexyl-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102999
N-(3,4-dichlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103278
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 165063551) is [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc3c(cnn3-c3cncc(Cl)c3)c2)CC1.
What is the InChIKey of [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VFTAYIYBYKRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12-2-4-23(5-3-12)18(25)14-6-13-9-22-24(17(13)21-8-14)16-7-15(19)10-20-11-16/h6-12H,2-5H2,1H3.
What are the key properties of [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 355.83 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 165063551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).