2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol

C27H30ClF4N7O — CID 162378753

IUPAC2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(N(CCO)C2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F
InChIInChI=1S/C27H30ClF4N7O/c1-4-36-15-24(27(30,31)32)34-26(36)18-8-7-17(12-20(18)29)37(10-11-40)22-6-5-9-38-23(22)13-21(35-38)25-19(28)14-33-39(25)16(2)3/h7-8,12-16,22,40H,4-6,9-11H2,1-3H3
InChIKeyMYRUICRYRPWROE-UHFFFAOYSA-N
MW580.03 g/mol
LogP6.36
Rot. Bonds8

About 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol

2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol (PubChem CID 162378753) has the molecular formula C27H30ClF4N7O and a molecular weight of 580.03 g/mol. Its IUPAC name is 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol.

Molecular Properties

Compound Name2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol
PubChem CID162378753
Molecular FormulaC27H30ClF4N7O
Molecular Weight580.03 g/mol
Exact Mass579.21
IUPAC Name2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(N(CCO)C2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F
InChIInChI=1S/C27H30ClF4N7O/c1-4-36-15-24(27(30,31)32)34-26(36)18-8-7-17(12-20(18)29)37(10-11-40)22-6-5-9-38-23(22)13-21(35-38)25-19(28)14-33-39(25)16(2)3/h7-8,12-16,22,40H,4-6,9-11H2,1-3H3
InChIKeyMYRUICRYRPWROE-UHFFFAOYSA-N
XLogP6.36
TPSA76.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.03
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol with MolForge

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Related Compounds

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 162378103
(4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 162378906
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378231
(4S)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 162378265
1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone
CID 162378667
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841744
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6-hydroxy-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378850
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378735
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-5-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 162378743
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-cyclopropyl-8-[[2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[2,1-a][2]benzazepin-9-yl]methyl]-7H-pteridin-6-one
CID 175612691
2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 168841767
4-[[3-fluoro-4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 162378814

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol?
The IUPAC name of 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol (CID 162378753) is 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol.
What is the SMILES notation for 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol?
The canonical SMILES for 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol is CCn1cc(C(F)(F)F)nc1-c1ccc(N(CCO)C2CCCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1F.
What is the InChIKey of 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol?
The InChIKey is MYRUICRYRPWROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF4N7O/c1-4-36-15-24(27(30,31)32)34-26(36)18-8-7-17(12-20(18)29)37(10-11-40)22-6-5-9-38-23(22)13-21(35-38)25-19(28)14-33-39(25)16(2)3/h7-8,12-16,22,40H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol?
2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol has a molecular weight of 580.03 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluoroanilino]ethanol is sourced from PubChem (CID 162378753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).