1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C19H13Cl2N5O — CID 75468059

IUPAC1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cn1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C19H13Cl2N5O/c20-15-7-17(22-10-16(15)21)25-19(27)14-6-13-9-24-26(18(13)23-8-14)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25,27)
InChIKeyYMMJITSDHIEGRW-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.43
Rot. Bonds4

About 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 75468059) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID75468059
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cn1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C19H13Cl2N5O/c20-15-7-17(22-10-16(15)21)25-19(27)14-6-13-9-24-26(18(13)23-8-14)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25,27)
InChIKeyYMMJITSDHIEGRW-UHFFFAOYSA-N
XLogP4.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 75468059) is 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1cc(Cl)c(Cl)cn1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is YMMJITSDHIEGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c20-15-7-17(22-10-16(15)21)25-19(27)14-6-13-9-24-26(18(13)23-8-14)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,25,27).
What are the key properties of 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 75468059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).