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N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

C19H15ClFN5 — CID 25014474

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)c1C
InChIInChI=1S/C19H15ClFN5/c1-10-7-16(23-17(11(10)2)13-5-3-4-6-15(13)20)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
InChIKeyMVUKVIIMDNACQW-UHFFFAOYSA-N
MW367.82 g/mol
LogP5.17
Rot. Bonds3

About N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine

N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 25014474) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID25014474
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC NameN-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)c1C
InChIInChI=1S/C19H15ClFN5/c1-10-7-16(23-17(11(10)2)13-5-3-4-6-15(13)20)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26)
InChIKeyMVUKVIIMDNACQW-UHFFFAOYSA-N
XLogP5.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.82
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 25014474) is N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)c1C.
What is the InChIKey of N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is MVUKVIIMDNACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-10-7-16(23-17(11(10)2)13-5-3-4-6-15(13)20)24-19-14-8-12(21)9-22-18(14)25-26-19/h3-9H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 367.82 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 25014474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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