(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone

C19H13ClN4O — CID 22320099

IUPAC(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
SMILESCc1nn(-c2ccccn2)c2ncc(C(=O)c3ccccc3)c(Cl)c12
InChIInChI=1S/C19H13ClN4O/c1-12-16-17(20)14(18(25)13-7-3-2-4-8-13)11-22-19(16)24(23-12)15-9-5-6-10-21-15/h2-11H,1H3
InChIKeyOTFMDVOABLCLLE-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.01
Rot. Bonds3

About (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone

(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone (PubChem CID 22320099) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
PubChem CID22320099
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
SMILESCc1nn(-c2ccccn2)c2ncc(C(=O)c3ccccc3)c(Cl)c12
InChIInChI=1S/C19H13ClN4O/c1-12-16-17(20)14(18(25)13-7-3-2-4-8-13)11-22-19(16)24(23-12)15-9-5-6-10-21-15/h2-11H,1H3
InChIKeyOTFMDVOABLCLLE-UHFFFAOYSA-N
XLogP4.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone?
The IUPAC name of (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone (CID 22320099) is (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone.
What is the SMILES notation for (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone?
The canonical SMILES for (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone is Cc1nn(-c2ccccn2)c2ncc(C(=O)c3ccccc3)c(Cl)c12.
What is the InChIKey of (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone?
The InChIKey is OTFMDVOABLCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c1-12-16-17(20)14(18(25)13-7-3-2-4-8-13)11-22-19(16)24(23-12)15-9-5-6-10-21-15/h2-11H,1H3.
What are the key properties of (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone?
(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone has a molecular weight of 348.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone is sourced from PubChem (CID 22320099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).