N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine

C27H23F2N5O — CID 67469584

IUPACN-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cc2cnc3cn[nH]c3c2Nc2cc(-c3cc(F)ccc3F)nc(C)c2C)cc1
InChIInChI=1S/C27H23F2N5O/c1-15-16(2)32-24(21-11-19(28)6-9-22(21)29)12-23(15)33-26-18(13-30-25-14-31-34-27(25)26)10-17-4-7-20(35-3)8-5-17/h4-9,11-14H,10H2,1-3H3,(H,31,34)(H,30,32,33)
InChIKeyPEPZDCOMXYGZLT-UHFFFAOYSA-N
MW471.51 g/mol
LogP6.26
Rot. Bonds6

About N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine

N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67469584) 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]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67469584
Molecular FormulaC27H23F2N5O
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC NameN-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cc2cnc3cn[nH]c3c2Nc2cc(-c3cc(F)ccc3F)nc(C)c2C)cc1
InChIInChI=1S/C27H23F2N5O/c1-15-16(2)32-24(21-11-19(28)6-9-22(21)29)12-23(15)33-26-18(13-30-25-14-31-34-27(25)26)10-17-4-7-20(35-3)8-5-17/h4-9,11-14H,10H2,1-3H3,(H,31,34)(H,30,32,33)
InChIKeyPEPZDCOMXYGZLT-UHFFFAOYSA-N
XLogP6.26
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine (CID 67469584) is N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cc2cnc3cn[nH]c3c2Nc2cc(-c3cc(F)ccc3F)nc(C)c2C)cc1.
What is the InChIKey of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is PEPZDCOMXYGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O/c1-15-16(2)32-24(21-11-19(28)6-9-22(21)29)12-23(15)33-26-18(13-30-25-14-31-34-27(25)26)10-17-4-7-20(35-3)8-5-17/h4-9,11-14H,10H2,1-3H3,(H,31,34)(H,30,32,33).
What are the key properties of N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine?
N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 471.51 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-difluorophenyl)-2,3-dimethyl-4-pyridinyl]-6-[(4-methoxyphenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67469584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).