3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

C24H21FN4O2 — CID 165385039

IUPAC3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCN(Cc1cncc2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1
InChIInChI=1S/C24H21FN4O2/c1-29(14-18-12-26-11-17-13-27-28-23(17)18)24(30)16-9-20(25)22(15-5-3-2-4-6-15)21(10-16)31-19-7-8-19/h2-6,9-13,19H,7-8,14H2,1H3,(H,27,28)
InChIKeyIGBSOLLCPSDKEW-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.58
Rot. Bonds6

About 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (PubChem CID 165385039) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
PubChem CID165385039
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCN(Cc1cncc2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1
InChIInChI=1S/C24H21FN4O2/c1-29(14-18-12-26-11-17-13-27-28-23(17)18)24(30)16-9-20(25)22(15-5-3-2-4-6-15)21(10-16)31-19-7-8-19/h2-6,9-13,19H,7-8,14H2,1H3,(H,27,28)
InChIKeyIGBSOLLCPSDKEW-UHFFFAOYSA-N
XLogP4.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The IUPAC name of 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (CID 165385039) is 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is CN(Cc1cncc2cn[nH]c12)C(=O)c1cc(F)c(-c2ccccc2)c(OC2CC2)c1.
What is the InChIKey of 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The InChIKey is IGBSOLLCPSDKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-29(14-18-12-26-11-17-13-27-28-23(17)18)24(30)16-9-20(25)22(15-5-3-2-4-6-15)21(10-16)31-19-7-8-19/h2-6,9-13,19H,7-8,14H2,1H3,(H,27,28).
What are the key properties of 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-5-fluoro-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 165385039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).