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

C24H18FN5O2 — CID 165385026

IUPACN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide
SMILESN#Cc1ncc(CNC(=O)c2ccc(-c3cccc(F)c3)c(OC3CC3)c2)c2[nH]ncc12
InChIInChI=1S/C24H18FN5O2/c25-17-3-1-2-14(8-17)19-7-4-15(9-22(19)32-18-5-6-18)24(31)28-12-16-11-27-21(10-26)20-13-29-30-23(16)20/h1-4,7-9,11,13,18H,5-6,12H2,(H,28,31)(H,29,30)
InChIKeyYIZQCZYOJYORCN-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.11
Rot. Bonds6

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

N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide (PubChem CID 165385026) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide
PubChem CID165385026
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC NameN-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide
SMILESN#Cc1ncc(CNC(=O)c2ccc(-c3cccc(F)c3)c(OC3CC3)c2)c2[nH]ncc12
InChIInChI=1S/C24H18FN5O2/c25-17-3-1-2-14(8-17)19-7-4-15(9-22(19)32-18-5-6-18)24(31)28-12-16-11-27-21(10-26)20-13-29-30-23(16)20/h1-4,7-9,11,13,18H,5-6,12H2,(H,28,31)(H,29,30)
InChIKeyYIZQCZYOJYORCN-UHFFFAOYSA-N
XLogP4.11
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
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-cyclopropyloxy-4-(3-fluorophenyl)benzamide?
The IUPAC name of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide (CID 165385026) is N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide?
The canonical SMILES for N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide is N#Cc1ncc(CNC(=O)c2ccc(-c3cccc(F)c3)c(OC3CC3)c2)c2[nH]ncc12.
What is the InChIKey of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide?
The InChIKey is YIZQCZYOJYORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c25-17-3-1-2-14(8-17)19-7-4-15(9-22(19)32-18-5-6-18)24(31)28-12-16-11-27-21(10-26)20-13-29-30-23(16)20/h1-4,7-9,11,13,18H,5-6,12H2,(H,28,31)(H,29,30).
What are the key properties of N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide?
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide has a molecular weight of 427.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 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-cyclopropyloxy-4-(3-fluorophenyl)benzamide is sourced from PubChem (CID 165385026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).