(8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C56H74F6N8O6S2 — CID 158284517

IUPAC(8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CCN(CC2CCC(C(F)(F)F)CC2)[C@@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CCN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)nc1
InChIInChI=1S/2C28H37F3N4O3S/c2*1-4-39(37,38)24-10-9-23(32-16-24)15-34-27(36)21-13-20-11-12-35(26(18(2)3)25(20)33-14-21)17-19-5-7-22(8-6-19)28(29,30)31/h2*9-10,13-14,16,18-19,22,26H,4-8,11-12,15,17H2,1-3H3,(H,34,36)/t2*19?,22?,26-/m10/s1
InChIKeyGKPPWKIAHVMILM-URQPHKBWSA-N
MW1133.38 g/mol
LogP10.25
Rot. Bonds16

About (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

(8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 158284517) has the molecular formula C56H74F6N8O6S2 and a molecular weight of 1133.38 g/mol. Its IUPAC name is (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID158284517
Molecular FormulaC56H74F6N8O6S2
Molecular Weight1133.38 g/mol
Exact Mass1132.51
IUPAC Name(8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CCN(CC2CCC(C(F)(F)F)CC2)[C@@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CCN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)nc1
InChIInChI=1S/2C28H37F3N4O3S/c2*1-4-39(37,38)24-10-9-23(32-16-24)15-34-27(36)21-13-20-11-12-35(26(18(2)3)25(20)33-14-21)17-19-5-7-22(8-6-19)28(29,30)31/h2*9-10,13-14,16,18-19,22,26H,4-8,11-12,15,17H2,1-3H3,(H,34,36)/t2*19?,22?,26-/m10/s1
InChIKeyGKPPWKIAHVMILM-URQPHKBWSA-N
XLogP10.25
TPSA184.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.38
LogP ≤ 510.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 158284517) is (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CCN(CC2CCC(C(F)(F)F)CC2)[C@@H]3C(C)C)nc1.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CCN(CC2CCC(C(F)(F)F)CC2)[C@H]3C(C)C)nc1.
What is the InChIKey of (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is GKPPWKIAHVMILM-URQPHKBWSA-N. The full InChI is InChI=1S/2C28H37F3N4O3S/c2*1-4-39(37,38)24-10-9-23(32-16-24)15-34-27(36)21-13-20-11-12-35(26(18(2)3)25(20)33-14-21)17-19-5-7-22(8-6-19)28(29,30)31/h2*9-10,13-14,16,18-19,22,26H,4-8,11-12,15,17H2,1-3H3,(H,34,36)/t2*19?,22?,26-/m10/s1.
What are the key properties of (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
(8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 1133.38 g/mol, XLogP of 10.25, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;(8S)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-8-propan-2-yl-7-[[4-(trifluoromethyl)cyclohexyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 158284517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).