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

C18H13ClFN5 — CID 24905392

IUPACN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C18H13ClFN5/c1-10-6-15(12-4-2-3-5-14(12)19)22-16(7-10)23-18-13-8-11(20)9-21-17(13)24-25-18/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyQAFFAZAVQKPMKM-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.86
Rot. Bonds3

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

N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 24905392) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID24905392
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC NameN-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)c1
InChIInChI=1S/C18H13ClFN5/c1-10-6-15(12-4-2-3-5-14(12)19)22-16(7-10)23-18-13-8-11(20)9-21-17(13)24-25-18/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyQAFFAZAVQKPMKM-UHFFFAOYSA-N
XLogP4.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.86
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-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 24905392) is N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is Cc1cc(Nc2[nH]nc3ncc(F)cc23)nc(-c2ccccc2Cl)c1.
What is the InChIKey of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is QAFFAZAVQKPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-10-6-15(12-4-2-3-5-14(12)19)22-16(7-10)23-18-13-8-11(20)9-21-17(13)24-25-18/h2-9H,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine?
N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 353.79 g/mol, XLogP of 4.86, 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-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 24905392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).