4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

C24H21F3N6O2 — CID 118208678

IUPAC4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(N)=O)cc3)c2)c1
InChIInChI=1S/C24H21F3N6O2/c1-14-8-19(31-22(9-14)32-21-10-18(6-7-29-21)24(25,26)27)17-11-30-33(12-17)13-20(34)15-2-4-16(5-3-15)23(28)35/h2-12,20,34H,13H2,1H3,(H2,28,35)(H,29,31,32)
InChIKeyNPFKLKCQLAIPQZ-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.24
Rot. Bonds7

About 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide

4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (PubChem CID 118208678) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
PubChem CID118208678
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(N)=O)cc3)c2)c1
InChIInChI=1S/C24H21F3N6O2/c1-14-8-19(31-22(9-14)32-21-10-18(6-7-29-21)24(25,26)27)17-11-30-33(12-17)13-20(34)15-2-4-16(5-3-15)23(28)35/h2-12,20,34H,13H2,1H3,(H2,28,35)(H,29,31,32)
InChIKeyNPFKLKCQLAIPQZ-UHFFFAOYSA-N
XLogP4.24
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide (CID 118208678) is 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnn(CC(O)c3ccc(C(N)=O)cc3)c2)c1.
What is the InChIKey of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
The InChIKey is NPFKLKCQLAIPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-14-8-19(31-22(9-14)32-21-10-18(6-7-29-21)24(25,26)27)17-11-30-33(12-17)13-20(34)15-2-4-16(5-3-15)23(28)35/h2-12,20,34H,13H2,1H3,(H2,28,35)(H,29,31,32).
What are the key properties of 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide?
4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 482.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 118208678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).