[(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H32F3N3O — CID 71518407

IUPAC[(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2
InChIInChI=1S/C24H32F3N3O/c25-24(26,27)18-11-16-15-30(10-8-21(16)28-14-18)22(31)23-9-4-5-17(23)12-20(13-23)29-19-6-2-1-3-7-19/h11,14,17,19-20,29H,1-10,12-13,15H2/t17-,20-,23-/m1/s1
InChIKeyHAVFEUQOBMGBRS-HCLVMJGWSA-N
MW435.53 g/mol
LogP4.86
Rot. Bonds3

About [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 71518407) has the molecular formula C24H32F3N3O and a molecular weight of 435.53 g/mol. Its IUPAC name is [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID71518407
Molecular FormulaC24H32F3N3O
Molecular Weight435.53 g/mol
Exact Mass435.25
IUPAC Name[(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2
InChIInChI=1S/C24H32F3N3O/c25-24(26,27)18-11-16-15-30(10-8-21(16)28-14-18)22(31)23-9-4-5-17(23)12-20(13-23)29-19-6-2-1-3-7-19/h11,14,17,19-20,29H,1-10,12-13,15H2/t17-,20-,23-/m1/s1
InChIKeyHAVFEUQOBMGBRS-HCLVMJGWSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

MK-0812
CID 11180808
[(1S)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 59687824
CID 71226374
CID 71226374
N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(4-(pyridin-3-yl)piperidin-1-yl)cyclopentanecarboxamide
CID 10325032
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-(hexahydro-2,5-methano-pentalen-3a-yl)-methanone
CID 52945241
[(2S,3aS,5R,6aS)-2-fluoro-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71517240
[(2R,3aS,5R,6aS)-2-fluoro-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71517241
[(2R,3aR,5R,6aR)-2-[(3-methoxyoxan-4-yl)amino]-5-(trifluoromethyl)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71517403
[(2R,3aS,5R,6aS)-2-(dimethylamino)-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71517737
[(2R,3aR,6aR)-2-(cycloheptylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71518408
[(2R,3aR,6aR)-2-(thian-4-ylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71518570
[(2R,3aR,6aR)-2-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 71518574

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 71518407) is [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2.
What is the InChIKey of [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is HAVFEUQOBMGBRS-HCLVMJGWSA-N. The full InChI is InChI=1S/C24H32F3N3O/c25-24(26,27)18-11-16-15-30(10-8-21(16)28-14-18)22(31)23-9-4-5-17(23)12-20(13-23)29-19-6-2-1-3-7-19/h11,14,17,19-20,29H,1-10,12-13,15H2/t17-,20-,23-/m1/s1.
What are the key properties of [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 435.53 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,6aR)-2-(cyclohexylamino)-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 71518407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).