2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide

C32H33F3N4O3 — CID 59505749

IUPAC2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc(OC(F)(F)F)ccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21
InChIInChI=1S/C32H33F3N4O3/c1-21-18-25(42-32(33,34)35)5-6-26(21)29(40)37-28-7-4-22-2-3-23(19-27(22)28)30(41)39-17-12-31(20-39)10-15-38(16-11-31)24-8-13-36-14-9-24/h2-3,5-6,8-9,13-14,18-19,28H,4,7,10-12,15-17,20H2,1H3,(H,37,40)/t28-/m1/s1
InChIKeyDNXKKOLDNOIEQW-MUUNZHRXSA-N
MW578.64 g/mol
LogP5.84
Rot. Bonds5

About 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide

2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 59505749) has the molecular formula C32H33F3N4O3 and a molecular weight of 578.64 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
PubChem CID59505749
Molecular FormulaC32H33F3N4O3
Molecular Weight578.64 g/mol
Exact Mass578.25
IUPAC Name2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
SMILESCc1cc(OC(F)(F)F)ccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21
InChIInChI=1S/C32H33F3N4O3/c1-21-18-25(42-32(33,34)35)5-6-26(21)29(40)37-28-7-4-22-2-3-23(19-27(22)28)30(41)39-17-12-31(20-39)10-15-38(16-11-31)24-8-13-36-14-9-24/h2-3,5-6,8-9,13-14,18-19,28H,4,7,10-12,15-17,20H2,1H3,(H,37,40)/t28-/m1/s1
InChIKeyDNXKKOLDNOIEQW-MUUNZHRXSA-N
XLogP5.84
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.64
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide (CID 59505749) is 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide is Cc1cc(OC(F)(F)F)ccc1C(=O)N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21.
What is the InChIKey of 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DNXKKOLDNOIEQW-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H33F3N4O3/c1-21-18-25(42-32(33,34)35)5-6-26(21)29(40)37-28-7-4-22-2-3-23(19-27(22)28)30(41)39-17-12-31(20-39)10-15-38(16-11-31)24-8-13-36-14-9-24/h2-3,5-6,8-9,13-14,18-19,28H,4,7,10-12,15-17,20H2,1H3,(H,37,40)/t28-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide?
2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 578.64 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 59505749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).