5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide

C14H13ClN4O2 — CID 30156254

IUPAC5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc(Cl)o3)cnc21
InChIInChI=1S/C14H13ClN4O2/c1-8(2)19-13-9(6-17-19)5-10(7-16-13)18-14(20)11-3-4-12(15)21-11/h3-8H,1-2H3,(H,18,20)
InChIKeyJDFUAMCLQJANKP-UHFFFAOYSA-N
MW304.74 g/mol
LogP3.51
Rot. Bonds3

About 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide

5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide (PubChem CID 30156254) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
PubChem CID30156254
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc(Cl)o3)cnc21
InChIInChI=1S/C14H13ClN4O2/c1-8(2)19-13-9(6-17-19)5-10(7-16-13)18-14(20)11-3-4-12(15)21-11/h3-8H,1-2H3,(H,18,20)
InChIKeyJDFUAMCLQJANKP-UHFFFAOYSA-N
XLogP3.51
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
CID 17398797
2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693470
2-(4-chlorophenyl)-4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-5-carboxamide
CID 26956456
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
CID 38714322
5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 24653896
(1S)-2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 97236813
2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 51256221
1-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040136
1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 65464709
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693617
1-[2-(4-fluorophenyl)ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide (CID 30156254) is 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide is CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)o3)cnc21.
What is the InChIKey of 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide?
The InChIKey is JDFUAMCLQJANKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-8(2)19-13-9(6-17-19)5-10(7-16-13)18-14(20)11-3-4-12(15)21-11/h3-8H,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide?
5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 30156254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).