3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride

C75H104BrClN10O9 — CID 160905246

IUPAC3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
SMILESBrc1ccncc1.CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)OC(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21.Cl.NC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C28H36N4O3.C18H27N3O2.C14H25NO2.C10H11NO2.C5H4BrN.ClH/c1-27(2,3)35-26(34)30-24-7-6-20-4-5-21(18-23(20)24)25(33)32-17-12-28(19-32)10-15-31(16-11-28)22-8-13-29-14-9-22;1-17(2,3)23-16(22)21-13-8-18(14-21)6-11-20(12-7-18)15-4-9-19-10-5-15;1-13(2,3)17-12(16)15-10-9-14(11-15)7-5-4-6-8-14;11-9-4-3-6-1-2-7(10(12)13)5-8(6)9;6-5-1-3-7-4-2-5;/h4-5,8-9,13-14,18,24H,6-7,10-12,15-17,19H2,1-3H3,(H,30,34);4-5,9-10H,6-8,11-14H2,1-3H3;4-11H2,1-3H3;1-2,5,9H,3-4,11H2,(H,12,13);1-4H;1H
InChIKeyAVHOSTYAMRWGJZ-UHFFFAOYSA-N
MW1405.07 g/mol
LogP15.21
Rot. Bonds5

About 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride

3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride (PubChem CID 160905246) has the molecular formula C75H104BrClN10O9 and a molecular weight of 1405.07 g/mol. Its IUPAC name is 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
PubChem CID160905246
Molecular FormulaC75H104BrClN10O9
Molecular Weight1405.07 g/mol
Exact Mass1402.69
IUPAC Name3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
SMILESBrc1ccncc1.CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)OC(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21.Cl.NC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C28H36N4O3.C18H27N3O2.C14H25NO2.C10H11NO2.C5H4BrN.ClH/c1-27(2,3)35-26(34)30-24-7-6-20-4-5-21(18-23(20)24)25(33)32-17-12-28(19-32)10-15-31(16-11-28)22-8-13-29-14-9-22;1-17(2,3)23-16(22)21-13-8-18(14-21)6-11-20(12-7-18)15-4-9-19-10-5-15;1-13(2,3)17-12(16)15-10-9-14(11-15)7-5-4-6-8-14;11-9-4-3-6-1-2-7(10(12)13)5-8(6)9;6-5-1-3-7-4-2-5;/h4-5,8-9,13-14,18,24H,6-7,10-12,15-17,19H2,1-3H3,(H,30,34);4-5,9-10H,6-8,11-14H2,1-3H3;4-11H2,1-3H3;1-2,5,9H,3-4,11H2,(H,12,13);1-4H;1H
InChIKeyAVHOSTYAMRWGJZ-UHFFFAOYSA-N
XLogP15.21
TPSA226.19 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.07
LogP ≤ 515.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride with MolForge

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Related Compounds

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
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861
4-fluoro-N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)benzamide
CID 66700738
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
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
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
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-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethoxy)benzamide
CID 66700927
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-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
tert-butyl 2-[(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carbonyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158116706
3-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4H-pyrimidine-5-carboxylic acid
CID 123964963

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
The IUPAC name of 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride (CID 160905246) is 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride.
What is the SMILES notation for 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
The canonical SMILES for 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride is Brc1ccncc1.CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1.CC(C)(C)OC(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21.Cl.NC1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
The InChIKey is AVHOSTYAMRWGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3.C18H27N3O2.C14H25NO2.C10H11NO2.C5H4BrN.ClH/c1-27(2,3)35-26(34)30-24-7-6-20-4-5-21(18-23(20)24)25(33)32-17-12-28(19-32)10-15-31(16-11-28)22-8-13-29-14-9-22;1-17(2,3)23-16(22)21-13-8-18(14-21)6-11-20(12-7-18)15-4-9-19-10-5-15;1-13(2,3)17-12(16)15-10-9-14(11-15)7-5-4-6-8-14;11-9-4-3-6-1-2-7(10(12)13)5-8(6)9;6-5-1-3-7-4-2-5;/h4-5,8-9,13-14,18,24H,6-7,10-12,15-17,19H2,1-3H3,(H,30,34);4-5,9-10H,6-8,11-14H2,1-3H3;4-11H2,1-3H3;1-2,5,9H,3-4,11H2,(H,12,13);1-4H;1H.
What are the key properties of 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride has a molecular weight of 1405.07 g/mol, XLogP of 15.21, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dihydro-1H-indene-5-carboxylic acid;4-bromopyridine;tert-butyl 2-azaspiro[4.5]decane-2-carboxylate;tert-butyl N-[6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl 8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate;hydrochloride is sourced from PubChem (CID 160905246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).