N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide

C24H19F2N5O2 — CID 165385263

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1c(-c2cccc(F)c2)ccc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)c1F
InChIInChI=1S/C24H19F2N5O2/c1-3-33-23-17(14-5-4-6-16(25)9-14)7-8-18(21(23)26)24(32)31(2)13-15-11-28-20(10-27)19-12-29-30-22(15)19/h4-9,11-12H,3,13H2,1-2H3,(H,29,30)
InChIKeyHFXJUJAIMZFALC-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.45
Rot. Bonds6

About N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385263) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385263
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1c(-c2cccc(F)c2)ccc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)c1F
InChIInChI=1S/C24H19F2N5O2/c1-3-33-23-17(14-5-4-6-16(25)9-14)7-8-18(21(23)26)24(32)31(2)13-15-11-28-20(10-27)19-12-29-30-22(15)19/h4-9,11-12H,3,13H2,1-2H3,(H,29,30)
InChIKeyHFXJUJAIMZFALC-UHFFFAOYSA-N
XLogP4.45
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385263) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1c(-c2cccc(F)c2)ccc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)c1F.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is HFXJUJAIMZFALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c1-3-33-23-17(14-5-4-6-16(25)9-14)7-8-18(21(23)26)24(32)31(2)13-15-11-28-20(10-27)19-12-29-30-22(15)19/h4-9,11-12H,3,13H2,1-2H3,(H,29,30).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 447.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).