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

C26H21ClFN5O — CID 67470392

IUPACN-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2ncc3nccc(Nc4cc(-c5cc(Cl)ccc5F)ncc4C)c32)cc1
InChIInChI=1S/C26H21ClFN5O/c1-16-13-30-24(20-11-18(27)5-8-21(20)28)12-23(16)32-22-9-10-29-25-14-31-33(26(22)25)15-17-3-6-19(34-2)7-4-17/h3-14H,15H2,1-2H3,(H,29,30,32)
InChIKeyWHHASBPTRHMHIR-UHFFFAOYSA-N
MW473.94 g/mol
LogP6.39
Rot. Bonds6

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

N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67470392) has the molecular formula C26H21ClFN5O and a molecular weight of 473.94 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67470392
Molecular FormulaC26H21ClFN5O
Molecular Weight473.94 g/mol
Exact Mass473.14
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2ncc3nccc(Nc4cc(-c5cc(Cl)ccc5F)ncc4C)c32)cc1
InChIInChI=1S/C26H21ClFN5O/c1-16-13-30-24(20-11-18(27)5-8-21(20)28)12-23(16)32-22-9-10-29-25-14-31-33(26(22)25)15-17-3-6-19(34-2)7-4-17/h3-14H,15H2,1-2H3,(H,29,30,32)
InChIKeyWHHASBPTRHMHIR-UHFFFAOYSA-N
XLogP6.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.94
LogP ≤ 56.39
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]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67470392) is N-[2-(5-chloro-2-fluorophenyl)-5-methyl-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)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2ncc3nccc(Nc4cc(-c5cc(Cl)ccc5F)ncc4C)c32)cc1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is WHHASBPTRHMHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O/c1-16-13-30-24(20-11-18(27)5-8-21(20)28)12-23(16)32-22-9-10-29-25-14-31-33(26(22)25)15-17-3-6-19(34-2)7-4-17/h3-14H,15H2,1-2H3,(H,29,30,32).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 473.94 g/mol, XLogP of 6.39, 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]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67470392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).