N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

C25H19ClFN5O — CID 54671158

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2ncc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)c4)c32)cc1
InChIInChI=1S/C25H19ClFN5O/c1-33-19-5-2-16(3-6-19)15-32-25-22(9-11-29-24(25)14-30-32)31-18-8-10-28-23(13-18)20-12-17(26)4-7-21(20)27/h2-14H,15H2,1H3,(H,28,29,31)
InChIKeyLOSZJKDXZZBQBK-UHFFFAOYSA-N
MW459.91 g/mol
LogP6.09
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54671158) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54671158
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2ncc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)c4)c32)cc1
InChIInChI=1S/C25H19ClFN5O/c1-33-19-5-2-16(3-6-19)15-32-25-22(9-11-29-24(25)14-30-32)31-18-8-10-28-23(13-18)20-12-17(26)4-7-21(20)27/h2-14H,15H2,1H3,(H,28,29,31)
InChIKeyLOSZJKDXZZBQBK-UHFFFAOYSA-N
XLogP6.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 56.09
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)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 54671158) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2ncc3nccc(Nc4ccnc(-c5cc(Cl)ccc5F)c4)c32)cc1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is LOSZJKDXZZBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c1-33-19-5-2-16(3-6-19)15-32-25-22(9-11-29-24(25)14-30-32)31-18-8-10-28-23(13-18)20-12-17(26)4-7-21(20)27/h2-14H,15H2,1H3,(H,28,29,31).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 459.91 g/mol, XLogP of 6.09, 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)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54671158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).