N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide

C23H26F3N7O2 — CID 143483785

IUPACN-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccnc(NCCCN4CCOCC4)c3)cn2)n1
InChIInChI=1S/C23H26F3N7O2/c1-16-13-19(23(24,25)26)33(31-16)21-4-3-18(15-29-21)30-22(34)17-5-7-28-20(14-17)27-6-2-8-32-9-11-35-12-10-32/h3-5,7,13-15H,2,6,8-12H2,1H3,(H,27,28)(H,30,34)
InChIKeyDFLLSNDBYMTZQM-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.38
Rot. Bonds8

About N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide

N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide (PubChem CID 143483785) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide
PubChem CID143483785
Molecular FormulaC23H26F3N7O2
Molecular Weight489.50 g/mol
Exact Mass489.21
IUPAC NameN-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccnc(NCCCN4CCOCC4)c3)cn2)n1
InChIInChI=1S/C23H26F3N7O2/c1-16-13-19(23(24,25)26)33(31-16)21-4-3-18(15-29-21)30-22(34)17-5-7-28-20(14-17)27-6-2-8-32-9-11-35-12-10-32/h3-5,7,13-15H,2,6,8-12H2,1H3,(H,27,28)(H,30,34)
InChIKeyDFLLSNDBYMTZQM-UHFFFAOYSA-N
XLogP3.38
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-methyl-3-[[5-methyl-2-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 25055976
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168130
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168036
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
(2E,4Z)-4-[3-(1,4-oxazepan-4-yl)propylamino]-2-[(Z)-prop-1-enyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]hepta-2,4-dienamide
CID 143484580
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19521841
N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-4-(3-morpholin-4-ylpropylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25121914
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167930
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide (CID 143483785) is N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccnc(NCCCN4CCOCC4)c3)cn2)n1.
What is the InChIKey of N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide?
The InChIKey is DFLLSNDBYMTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c1-16-13-19(23(24,25)26)33(31-16)21-4-3-18(15-29-21)30-22(34)17-5-7-28-20(14-17)27-6-2-8-32-9-11-35-12-10-32/h3-5,7,13-15H,2,6,8-12H2,1H3,(H,27,28)(H,30,34).
What are the key properties of N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide?
N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 143483785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).