(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

C24H25ClF3N3O4 — CID 155254516

IUPAC(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cn1)C1CCC(NC(=O)[C@@H]2C[C@@H](O)c3cc(Cl)ccc3O2)CC1
InChIInChI=1S/C24H25ClF3N3O4/c25-15-4-8-20-18(9-15)19(32)10-21(35-20)23(34)31-16-5-1-13(2-6-16)22(33)30-12-17-7-3-14(11-29-17)24(26,27)28/h3-4,7-9,11,13,16,19,21,32H,1-2,5-6,10,12H2,(H,30,33)(H,31,34)/t13?,16?,19-,21+/m1/s1
InChIKeyRVXAGPSXBKCGAT-KXWYXJAKSA-N
MW511.93 g/mol
LogP3.93
Rot. Bonds5

About (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254516) has the molecular formula C24H25ClF3N3O4 and a molecular weight of 511.93 g/mol. Its IUPAC name is (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155254516
Molecular FormulaC24H25ClF3N3O4
Molecular Weight511.93 g/mol
Exact Mass511.15
IUPAC Name(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cn1)C1CCC(NC(=O)[C@@H]2C[C@@H](O)c3cc(Cl)ccc3O2)CC1
InChIInChI=1S/C24H25ClF3N3O4/c25-15-4-8-20-18(9-15)19(32)10-21(35-20)23(34)31-16-5-1-13(2-6-16)22(33)30-12-17-7-3-14(11-29-17)24(26,27)28/h3-4,7-9,11,13,16,19,21,32H,1-2,5-6,10,12H2,(H,30,33)(H,31,34)/t13?,16?,19-,21+/m1/s1
InChIKeyRVXAGPSXBKCGAT-KXWYXJAKSA-N
XLogP3.93
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.93
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 175524208
6-chloro-N-[6-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]oxan-3-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254544
1-[4-[2-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-3-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 162066081
6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide;N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxane-2-carboxamide
CID 142586737
(2R,4R)-6-chloro-4-hydroxy-N-[3-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254587
(2S,4R)-6-chloro-4-hydroxy-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155263236
(2R,4R)-6-chloro-4-hydroxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254666
(2R,5R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxane-2-carboxamide
CID 175122991
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
(2R,4R)-6-chloro-4-hydroxy-N-[3-[4-[3-(trifluoromethoxy)propoxyamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 170549290
(2R,4R)-6-chloro-N-[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155256995
(2S,4R)-6-chloro-4-hydroxy-N-[3-(4-methylpyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155261947

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254516) is (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)cn1)C1CCC(NC(=O)[C@@H]2C[C@@H](O)c3cc(Cl)ccc3O2)CC1.
What is the InChIKey of (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is RVXAGPSXBKCGAT-KXWYXJAKSA-N. The full InChI is InChI=1S/C24H25ClF3N3O4/c25-15-4-8-20-18(9-15)19(32)10-21(35-20)23(34)31-16-5-1-13(2-6-16)22(33)30-12-17-7-3-14(11-29-17)24(26,27)28/h3-4,7-9,11,13,16,19,21,32H,1-2,5-6,10,12H2,(H,30,33)(H,31,34)/t13?,16?,19-,21+/m1/s1.
What are the key properties of (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 511.93 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).