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6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide

C31H30F3N5O3 — CID 123258832

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide
SMILESCC(O)Cn1ccc(-c2ccc(C(=O)NC3CCC4C(C3)C4c3cc(C(F)(F)F)ccc3Oc3ccccn3)cn2)n1
InChIInChI=1S/C31H30F3N5O3/c1-18(40)17-39-13-11-26(38-39)25-9-5-19(16-36-25)30(41)37-21-7-8-22-23(15-21)29(22)24-14-20(31(32,33)34)6-10-27(24)42-28-4-2-3-12-35-28/h2-6,9-14,16,18,21-23,29,40H,7-8,15,17H2,1H3,(H,37,41)
InChIKeyFGNKGAQGVAQDCF-UHFFFAOYSA-N
MW577.61 g/mol
LogP5.84
Rot. Bonds8

About 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide

6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide (PubChem CID 123258832) has the molecular formula C31H30F3N5O3 and a molecular weight of 577.61 g/mol. Its IUPAC name is 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide
PubChem CID123258832
Molecular FormulaC31H30F3N5O3
Molecular Weight577.61 g/mol
Exact Mass577.23
IUPAC Name6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide
SMILESCC(O)Cn1ccc(-c2ccc(C(=O)NC3CCC4C(C3)C4c3cc(C(F)(F)F)ccc3Oc3ccccn3)cn2)n1
InChIInChI=1S/C31H30F3N5O3/c1-18(40)17-39-13-11-26(38-39)25-9-5-19(16-36-25)30(41)37-21-7-8-22-23(15-21)29(22)24-14-20(31(32,33)34)6-10-27(24)42-28-4-2-3-12-35-28/h2-6,9-14,16,18,21-23,29,40H,7-8,15,17H2,1H3,(H,37,41)
InChIKeyFGNKGAQGVAQDCF-UHFFFAOYSA-N
XLogP5.84
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide?
The IUPAC name of 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide (CID 123258832) is 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide is CC(O)Cn1ccc(-c2ccc(C(=O)NC3CCC4C(C3)C4c3cc(C(F)(F)F)ccc3Oc3ccccn3)cn2)n1.
What is the InChIKey of 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide?
The InChIKey is FGNKGAQGVAQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5O3/c1-18(40)17-39-13-11-26(38-39)25-9-5-19(16-36-25)30(41)37-21-7-8-22-23(15-21)29(22)24-14-20(31(32,33)34)6-10-27(24)42-28-4-2-3-12-35-28/h2-6,9-14,16,18,21-23,29,40H,7-8,15,17H2,1H3,(H,37,41).
What are the key properties of 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide?
6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide has a molecular weight of 577.61 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-hydroxypropyl)pyrazol-3-yl]-N-[7-[2-pyridin-2-yloxy-5-(trifluoromethyl)phenyl]-3-bicyclo[4.1.0]heptanyl]pyridine-3-carboxamide is sourced from PubChem (CID 123258832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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