6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide

C24H26F3N5O3 — CID 143484561

IUPAC6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)C3=CC=CCC(N4CCOCC4)=C3)nc2)n1
InChIInChI=1S/C24H26F3N5O3/c1-2-11-35-22-15-20(24(25,26)27)32(30-22)19-7-8-21(28-16-19)29-23(33)17-5-3-4-6-18(14-17)31-9-12-34-13-10-31/h3-5,7-8,14-16H,2,6,9-13H2,1H3,(H,28,29,33)
InChIKeyAPFCQWMKVAMKPR-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.12
Rot. Bonds7

About 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide

6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 143484561) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID143484561
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC Name6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)C3=CC=CCC(N4CCOCC4)=C3)nc2)n1
InChIInChI=1S/C24H26F3N5O3/c1-2-11-35-22-15-20(24(25,26)27)32(30-22)19-7-8-21(28-16-19)29-23(33)17-5-3-4-6-18(14-17)31-9-12-34-13-10-31/h3-5,7-8,14-16H,2,6,9-13H2,1H3,(H,28,29,33)
InChIKeyAPFCQWMKVAMKPR-UHFFFAOYSA-N
XLogP4.12
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide with MolForge

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Related Compounds

N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
2-(4-acetylphenoxy)-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 38142916
N-(5-morpholin-4-yl-2-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 136548016
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)benzimidazole-4-carboxamide
CID 154801960
3,4-dimethoxy-N-(5-morpholin-4-yl-2-pyridinyl)-5-prop-2-enylbenzamide
CID 18207509
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
CID 33447939

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide (CID 143484561) is 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide is CCCOc1cc(C(F)(F)F)n(-c2ccc(NC(=O)C3=CC=CCC(N4CCOCC4)=C3)nc2)n1.
What is the InChIKey of 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is APFCQWMKVAMKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-2-11-35-22-15-20(24(25,26)27)32(30-22)19-7-8-21(28-16-19)29-23(33)17-5-3-4-6-18(14-17)31-9-12-34-13-10-31/h3-5,7-8,14-16H,2,6,9-13H2,1H3,(H,28,29,33).
What are the key properties of 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide?
6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[5-[3-propoxy-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 143484561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).