[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

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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).