(5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide

C27H24F3N5O4S2 — CID 71002230

IUPAC(5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NS(C)(=O)=O)ccc43)s2)c1
InChIInChI=1S/C27H24F3N5O4S2/c1-15-10-20(33-23(11-15)34-22-13-18(7-9-31-22)27(28,29)30)21-14-32-25(40-21)26(37)8-3-4-16-12-17(5-6-19(16)26)24(36)35-41(2,38)39/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)/t26-/m1/s1
InChIKeyHAABRXWJXIFASG-AREMUKBSSA-N
MW603.65 g/mol
LogP4.93
Rot. Bonds6

About (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide

(5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 71002230) has the molecular formula C27H24F3N5O4S2 and a molecular weight of 603.65 g/mol. Its IUPAC name is (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
PubChem CID71002230
Molecular FormulaC27H24F3N5O4S2
Molecular Weight603.65 g/mol
Exact Mass603.12
IUPAC Name(5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NS(C)(=O)=O)ccc43)s2)c1
InChIInChI=1S/C27H24F3N5O4S2/c1-15-10-20(33-23(11-15)34-22-13-18(7-9-31-22)27(28,29)30)21-14-32-25(40-21)26(37)8-3-4-16-12-17(5-6-19(16)26)24(36)35-41(2,38)39/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)/t26-/m1/s1
InChIKeyHAABRXWJXIFASG-AREMUKBSSA-N
XLogP4.93
TPSA134.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.65
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The IUPAC name of (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 71002230) is (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide.
What is the SMILES notation for (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The canonical SMILES for (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NS(C)(=O)=O)ccc43)s2)c1.
What is the InChIKey of (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The InChIKey is HAABRXWJXIFASG-AREMUKBSSA-N. The full InChI is InChI=1S/C27H24F3N5O4S2/c1-15-10-20(33-23(11-15)34-22-13-18(7-9-31-22)27(28,29)30)21-14-32-25(40-21)26(37)8-3-4-16-12-17(5-6-19(16)26)24(36)35-41(2,38)39/h5-7,9-14,37H,3-4,8H2,1-2H3,(H,35,36)(H,31,33,34)/t26-/m1/s1.
What are the key properties of (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
(5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 603.65 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-N-methylsulfonyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 71002230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).