2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride

C48H61ClN14O7 — CID 158790176

IUPAC2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(C(=O)O)ccc4[nH]3)CC2)n1.CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(C(N)=O)ccc4[nH]3)CC2)n1.Cl.N
InChIInChI=1S/C24H29N7O3.C24H28N6O4.ClH.H3N/c1-16(32)26-21-5-10-31(28-21)23(34)29-11-7-24(8-12-29)6-2-9-30(24)15-19-14-18-13-17(22(25)33)3-4-20(18)27-19;1-16(31)25-21-5-10-30(27-21)23(34)28-11-7-24(8-12-28)6-2-9-29(24)15-19-14-18-13-17(22(32)33)3-4-20(18)26-19;;/h3-5,10,13-14,27H,2,6-9,11-12,15H2,1H3,(H2,25,33)(H,26,28,32);3-5,10,13-14,26H,2,6-9,11-12,15H2,1H3,(H,32,33)(H,25,27,31);1H;1H3
InChIKeyLMUDOKXGDNZQDE-UHFFFAOYSA-N
MW981.56 g/mol
LogP6.22
Rot. Bonds8

About 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride

2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride (PubChem CID 158790176) has the molecular formula C48H61ClN14O7 and a molecular weight of 981.56 g/mol. Its IUPAC name is 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride.

Molecular Properties

Compound Name2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride
PubChem CID158790176
Molecular FormulaC48H61ClN14O7
Molecular Weight981.56 g/mol
Exact Mass980.45
IUPAC Name2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride
SMILESCC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(C(=O)O)ccc4[nH]3)CC2)n1.CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(C(N)=O)ccc4[nH]3)CC2)n1.Cl.N
InChIInChI=1S/C24H29N7O3.C24H28N6O4.ClH.H3N/c1-16(32)26-21-5-10-31(28-21)23(34)29-11-7-24(8-12-29)6-2-9-30(24)15-19-14-18-13-17(22(25)33)3-4-20(18)27-19;1-16(31)25-21-5-10-30(27-21)23(34)28-11-7-24(8-12-28)6-2-9-29(24)15-19-14-18-13-17(22(32)33)3-4-20(18)26-19;;/h3-5,10,13-14,27H,2,6-9,11-12,15H2,1H3,(H2,25,33)(H,26,28,32);3-5,10,13-14,26H,2,6-9,11-12,15H2,1H3,(H,32,33)(H,25,27,31);1H;1H3
InChIKeyLMUDOKXGDNZQDE-UHFFFAOYSA-N
XLogP6.22
TPSA287.91 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500981.56
LogP ≤ 56.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride with MolForge

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Related Compounds

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CID 177902245
2-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-N-nonyltriazol-4-amine;2-(3-fluoro-5-methylphenyl)-5-(1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 160460518
5-{7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid
CID 58980980
5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid
CID 58981119
2-pyridin-3-yl-N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzoic acid
CID 69803977
2-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
CID 118952958
2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid
CID 135388534
2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid
CID 139328380
2-[[8-[3-(ethylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid
CID 146517818
2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;N-[1-(8-azaspiro[4.5]decane-8-carbonyl)pyrazol-3-yl]acetamide;2-formyl-1H-indole-5-carboxylic acid
CID 157728279
pyridin-2-ylmethanamine;2,5,5-trimethyl-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxylic acid;2,5,5-trimethyl-N-(pyridin-2-ylmethyl)-4,10-dihydropyrazolo[3,4-a]carbazole-7-carboxamide
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N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;(1,2-dimethylindol-5-yl)methanol;methyl 1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxylate;methyl 2-methyl-1H-indole-5-carboxylate
CID 158763031

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride?
The IUPAC name of 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride (CID 158790176) is 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride.
What is the SMILES notation for 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride?
The canonical SMILES for 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride is CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(C(=O)O)ccc4[nH]3)CC2)n1.CC(=O)Nc1ccn(C(=O)N2CCC3(CCCN3Cc3cc4cc(C(N)=O)ccc4[nH]3)CC2)n1.Cl.N.
What is the InChIKey of 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride?
The InChIKey is LMUDOKXGDNZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3.C24H28N6O4.ClH.H3N/c1-16(32)26-21-5-10-31(28-21)23(34)29-11-7-24(8-12-29)6-2-9-30(24)15-19-14-18-13-17(22(25)33)3-4-20(18)27-19;1-16(31)25-21-5-10-30(27-21)23(34)28-11-7-24(8-12-28)6-2-9-29(24)15-19-14-18-13-17(22(32)33)3-4-20(18)26-19;;/h3-5,10,13-14,27H,2,6-9,11-12,15H2,1H3,(H2,25,33)(H,26,28,32);3-5,10,13-14,26H,2,6-9,11-12,15H2,1H3,(H,32,33)(H,25,27,31);1H;1H3.
What are the key properties of 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride?
2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride has a molecular weight of 981.56 g/mol, XLogP of 6.22, 8 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxamide;2-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1H-indole-5-carboxylic acid;azane;hydrochloride is sourced from PubChem (CID 158790176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).