4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

C26H22FN5O2 — CID 165385184

IUPAC4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1cnc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1
InChIInChI=1S/C26H22FN5O2/c1-32(15-19-13-29-23(11-27)22-14-30-31-25(19)22)26(33)18-5-8-21(24(10-18)34-20-6-7-20)17-4-2-3-16(9-17)12-28/h2-5,8-10,13-14,20H,6-7,11,15H2,1H3,(H,30,31)
InChIKeyMHBSSYMJEAIIBI-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.78
Rot. Bonds7

About 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (PubChem CID 165385184) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
PubChem CID165385184
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1cnc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1
InChIInChI=1S/C26H22FN5O2/c1-32(15-19-13-29-23(11-27)22-14-30-31-25(19)22)26(33)18-5-8-21(24(10-18)34-20-6-7-20)17-4-2-3-16(9-17)12-28/h2-5,8-10,13-14,20H,6-7,11,15H2,1H3,(H,30,31)
InChIKeyMHBSSYMJEAIIBI-UHFFFAOYSA-N
XLogP4.78
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (CID 165385184) is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is CN(Cc1cnc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
The InChIKey is MHBSSYMJEAIIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-32(15-19-13-29-23(11-27)22-14-30-31-25(19)22)26(33)18-5-8-21(24(10-18)34-20-6-7-20)17-4-2-3-16(9-17)12-28/h2-5,8-10,13-14,20H,6-7,11,15H2,1H3,(H,30,31).
What are the key properties of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide has a molecular weight of 455.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 165385184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).