2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

C23H19F3N6O2 — CID 10298748

IUPAC2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccnc(NCCO)c1
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)20-13-19(16-2-1-8-27-14-16)31-32(20)18-5-3-17(4-6-18)30-22(34)15-7-9-28-21(12-15)29-10-11-33/h1-9,12-14,33H,10-11H2,(H,28,29)(H,30,34)
InChIKeyPLBBMEGVTSVPGI-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.00
Rot. Bonds7

About 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide

2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 10298748) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID10298748
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccnc(NCCO)c1
InChIInChI=1S/C23H19F3N6O2/c24-23(25,26)20-13-19(16-2-1-8-27-14-16)31-32(20)18-5-3-17(4-6-18)30-22(34)15-7-9-28-21(12-15)29-10-11-33/h1-9,12-14,33H,10-11H2,(H,28,29)(H,30,34)
InChIKeyPLBBMEGVTSVPGI-UHFFFAOYSA-N
XLogP4.00
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide
CID 89354274
N-[[4-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]benzamide
CID 5302319
CID 89354167
CID 89354167
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 89354150
2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 154270793
ethane;4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid
CID 143484283
6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide
CID 143483780
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 129255074
N-[6-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide
CID 143483785
N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109175256
N-(2-bicyclo[2.2.1]hept-5-enyl)-N-methyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 68976690

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide (CID 10298748) is 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1ccnc(NCCO)c1.
What is the InChIKey of 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is PLBBMEGVTSVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c24-23(25,26)20-13-19(16-2-1-8-27-14-16)31-32(20)18-5-3-17(4-6-18)30-22(34)15-7-9-28-21(12-15)29-10-11-33/h1-9,12-14,33H,10-11H2,(H,28,29)(H,30,34).
What are the key properties of 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide?
2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 10298748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).