2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide

C33H36Cl2N4O2 — CID 66700830

IUPAC2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide
SMILESCC1(C)CC(NC(=O)c2c(Cl)cccc2Cl)c2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc21
InChIInChI=1S/C33H36Cl2N4O2/c1-32(2)21-28(37-30(40)29-26(34)4-3-5-27(29)35)24-20-22(6-7-25(24)32)31(41)39-18-12-33(13-19-39)10-16-38(17-11-33)23-8-14-36-15-9-23/h3-9,14-15,20,28H,10-13,16-19,21H2,1-2H3,(H,37,40)
InChIKeyKWGOOJJWBMEVJP-UHFFFAOYSA-N
MW591.58 g/mol
LogP7.06
Rot. Bonds4

About 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide

2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide (PubChem CID 66700830) has the molecular formula C33H36Cl2N4O2 and a molecular weight of 591.58 g/mol. Its IUPAC name is 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide
PubChem CID66700830
Molecular FormulaC33H36Cl2N4O2
Molecular Weight591.58 g/mol
Exact Mass590.22
IUPAC Name2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide
SMILESCC1(C)CC(NC(=O)c2c(Cl)cccc2Cl)c2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc21
InChIInChI=1S/C33H36Cl2N4O2/c1-32(2)21-28(37-30(40)29-26(34)4-3-5-27(29)35)24-20-22(6-7-25(24)32)31(41)39-18-12-33(13-19-39)10-16-38(17-11-33)23-8-14-36-15-9-23/h3-9,14-15,20,28H,10-13,16-19,21H2,1-2H3,(H,37,40)
InChIKeyKWGOOJJWBMEVJP-UHFFFAOYSA-N
XLogP7.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.58
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide with MolForge

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Related Compounds

2-chloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]-6-methylbenzenesulfonamide
CID 66700741
N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]-2-fluoro-4-methylbenzamide
CID 67546886
2,4-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzenesulfonamide
CID 67547088
2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700687
2-chloro-N-[(1S)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 46936088
2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 59505289
2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 46936041
2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-4,5-difluorobenzamide
CID 66700774
2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide
CID 66701179
2-chloro-N-[(1R)-4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 59505284
2-fluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66701032
N-[6-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 67547562

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide (CID 66700830) is 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide is CC1(C)CC(NC(=O)c2c(Cl)cccc2Cl)c2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc21.
What is the InChIKey of 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide?
The InChIKey is KWGOOJJWBMEVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36Cl2N4O2/c1-32(2)21-28(37-30(40)29-26(34)4-3-5-27(29)35)24-20-22(6-7-25(24)32)31(41)39-18-12-33(13-19-39)10-16-38(17-11-33)23-8-14-36-15-9-23/h3-9,14-15,20,28H,10-13,16-19,21H2,1-2H3,(H,37,40).
What are the key properties of 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide?
2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide has a molecular weight of 591.58 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide is sourced from PubChem (CID 66700830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).