N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine

C21H18ClF2N5O — CID 54671063

IUPACN-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESCOCCn1cc2ncc(F)c(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c2n1
InChIInChI=1S/C21H18ClF2N5O/c1-12-9-25-18(14-7-13(22)3-4-15(14)23)8-17(12)27-20-16(24)10-26-19-11-29(5-6-30-2)28-21(19)20/h3-4,7-11H,5-6H2,1-2H3,(H,25,27)
InChIKeyJYYAKHTVVNDGOI-UHFFFAOYSA-N
MW429.86 g/mol
LogP5.12
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671063) has the molecular formula C21H18ClF2N5O and a molecular weight of 429.86 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671063
Molecular FormulaC21H18ClF2N5O
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESCOCCn1cc2ncc(F)c(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c2n1
InChIInChI=1S/C21H18ClF2N5O/c1-12-9-25-18(14-7-13(22)3-4-15(14)23)8-17(12)27-20-16(24)10-26-19-11-29(5-6-30-2)28-21(19)20/h3-4,7-11H,5-6H2,1-2H3,(H,25,27)
InChIKeyJYYAKHTVVNDGOI-UHFFFAOYSA-N
XLogP5.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54671063) is N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine is COCCn1cc2ncc(F)c(Nc3cc(-c4cc(Cl)ccc4F)ncc3C)c2n1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is JYYAKHTVVNDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O/c1-12-9-25-18(14-7-13(22)3-4-15(14)23)8-17(12)27-20-16(24)10-26-19-11-29(5-6-30-2)28-21(19)20/h3-4,7-11H,5-6H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 429.86 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-6-fluoro-2-(2-methoxyethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).