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

C25H22F2N4O2 — CID 165385023

IUPAC3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1cnc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H22F2N4O2/c1-31(14-17-12-28-22(11-26)21-13-29-30-24(17)21)25(32)16-5-8-20(15-3-2-4-18(27)9-15)23(10-16)33-19-6-7-19/h2-5,8-10,12-13,19H,6-7,11,14H2,1H3,(H,29,30)
InChIKeyAVYYBQWTJXQTLC-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.05
Rot. Bonds7

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

3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385023) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385023
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1cnc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H22F2N4O2/c1-31(14-17-12-28-22(11-26)21-13-29-30-24(17)21)25(32)16-5-8-20(15-3-2-4-18(27)9-15)23(10-16)33-19-6-7-19/h2-5,8-10,12-13,19H,6-7,11,14H2,1H3,(H,29,30)
InChIKeyAVYYBQWTJXQTLC-UHFFFAOYSA-N
XLogP5.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385023) is 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide is CN(Cc1cnc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.
What is the InChIKey of 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is AVYYBQWTJXQTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-31(14-17-12-28-22(11-26)21-13-29-30-24(17)21)25(32)16-5-8-20(15-3-2-4-18(27)9-15)23(10-16)33-19-6-7-19/h2-5,8-10,12-13,19H,6-7,11,14H2,1H3,(H,29,30).
What are the key properties of 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide?
3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 448.47 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).