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

C24H20FN5O2 — CID 165385220

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H20FN5O2/c1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)30(2)14-17-12-27-21(11-26)20-13-28-29-23(17)20/h4-10,12-13H,3,14H2,1-2H3,(H,28,29)
InChIKeyQBBOKQDSTZSAJP-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.31
Rot. Bonds6

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

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385220) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385220
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H20FN5O2/c1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)30(2)14-17-12-27-21(11-26)20-13-28-29-23(17)20/h4-10,12-13H,3,14H2,1-2H3,(H,28,29)
InChIKeyQBBOKQDSTZSAJP-UHFFFAOYSA-N
XLogP4.31
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.31
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-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385220) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-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-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is QBBOKQDSTZSAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-3-32-22-10-16(7-8-19(22)15-5-4-6-18(25)9-15)24(31)30(2)14-17-12-27-21(11-26)20-13-28-29-23(17)20/h4-10,12-13H,3,14H2,1-2H3,(H,28,29).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 429.46 g/mol, XLogP of 4.31, 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-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).