N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

C27H23F2N5O — CID 67469608

IUPACN-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4cc(-c5cc(F)ccc5F)nc(C)c4C)c3n2)cc1
InChIInChI=1S/C27H23F2N5O/c1-16-17(2)31-25(21-12-19(28)6-9-22(21)29)13-24(16)32-23-10-11-30-26-15-34(33-27(23)26)14-18-4-7-20(35-3)8-5-18/h4-13,15H,14H2,1-3H3,(H,31,32)
InChIKeyMKIMSVFZHPDTLR-UHFFFAOYSA-N
MW471.51 g/mol
LogP6.19
Rot. Bonds6

About N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469608) has the molecular formula C27H23F2N5O and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469608
Molecular FormulaC27H23F2N5O
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC NameN-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2cc3nccc(Nc4cc(-c5cc(F)ccc5F)nc(C)c4C)c3n2)cc1
InChIInChI=1S/C27H23F2N5O/c1-16-17(2)31-25(21-12-19(28)6-9-22(21)29)13-24(16)32-23-10-11-30-26-15-34(33-27(23)26)14-18-4-7-20(35-3)8-5-18/h4-13,15H,14H2,1-3H3,(H,31,32)
InChIKeyMKIMSVFZHPDTLR-UHFFFAOYSA-N
XLogP6.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67469608) is N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2cc3nccc(Nc4cc(-c5cc(F)ccc5F)nc(C)c4C)c3n2)cc1.
What is the InChIKey of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is MKIMSVFZHPDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O/c1-16-17(2)31-25(21-12-19(28)6-9-22(21)29)13-24(16)32-23-10-11-30-26-15-34(33-27(23)26)14-18-4-7-20(35-3)8-5-18/h4-13,15H,14H2,1-3H3,(H,31,32).
What are the key properties of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 471.51 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).