[(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C25H31F3N4O2 — CID 11454364

IUPAC[(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOc1ccc(CN[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)cn1
InChIInChI=1S/C25H31F3N4O2/c1-16(2)24(8-6-20(11-24)29-12-17-4-5-22(34-3)31-13-17)23(33)32-9-7-21-18(15-32)10-19(14-30-21)25(26,27)28/h4-5,10,13-14,16,20,29H,6-9,11-12,15H2,1-3H3/t20-,24+/m1/s1
InChIKeyOTVUQEDICCXAFN-YKSBVNFPSA-N
MW476.54 g/mol
LogP4.37
Rot. Bonds6

About [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 11454364) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID11454364
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC Name[(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOc1ccc(CN[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)cn1
InChIInChI=1S/C25H31F3N4O2/c1-16(2)24(8-6-20(11-24)29-12-17-4-5-22(34-3)31-13-17)23(33)32-9-7-21-18(15-32)10-19(14-30-21)25(26,27)28/h4-5,10,13-14,16,20,29H,6-9,11-12,15H2,1-3H3/t20-,24+/m1/s1
InChIKeyOTVUQEDICCXAFN-YKSBVNFPSA-N
XLogP4.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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Related Compounds

N-(1-(6-methoxypyridin-3-yl)pentyl)-2-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 45270014
[(1S,3R)-3-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 118734683
US11045457, Example 172
CID 146402336
(1S,11R)-14-[(6-methoxy-2-pyridinyl)methyl]-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202115
6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 118736800
US11236092, Example 138
CID 163407700
6-Methoxy-N-(2-{[2-(pyridin-2-YL)ethyl]carbamoyl}cyclopentyl)pyridine-3-carboxamide
CID 91912958
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 177647054
(1S,11S)-14-[(6-methoxy-2-pyridinyl)methyl]-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202038
Synthesis of N-((2'-(3,5-difluoro-2,6-dimethoxypyridine-4-yl)-3'-oxo-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-[2,7]naphthine]-6'-yl) methyl) acrylamide
CID 171735990
2-methoxy-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide
CID 177049846
2-methoxy-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyridine-4-carboxamide
CID 177050870

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 11454364) is [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COc1ccc(CN[C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)cn1.
What is the InChIKey of [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is OTVUQEDICCXAFN-YKSBVNFPSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-16(2)24(8-6-20(11-24)29-12-17-4-5-22(34-3)31-13-17)23(33)32-9-7-21-18(15-32)10-19(14-30-21)25(26,27)28/h4-5,10,13-14,16,20,29H,6-9,11-12,15H2,1-3H3/t20-,24+/m1/s1.
What are the key properties of [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 476.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(6-methoxy-3-pyridinyl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 11454364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).