1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one

C61H63ClN22O6 — CID 157158983

IUPAC1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCNc1ncnc(Cl)c1[N+](=O)[O-].CNc1ncnc(N2CCC3(CC2)C(=O)Nc2ccccc23)c1N.Cn1c(-c2cncnc2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21.O=C1Nc2ccccc2C12CCNCC2.O=Cc1cncnc1
InChIInChI=1S/C22H20N8O.C17H20N6O.C12H14N2O.C5H5ClN4O2.C5H4N2O/c1-29-18(14-10-23-12-24-11-14)28-17-19(29)25-13-26-20(17)30-8-6-22(7-9-30)15-4-2-3-5-16(15)27-21(22)31;1-19-14-13(18)15(21-10-20-14)23-8-6-17(7-9-23)11-4-2-3-5-12(11)22-16(17)24;15-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)14-11;1-7-5-3(10(11)12)4(6)8-2-9-5;8-3-5-1-6-4-7-2-5/h2-5,10-13H,6-9H2,1H3,(H,27,31);2-5,10H,6-9,18H2,1H3,(H,22,24)(H,19,20,21);1-4,13H,5-8H2,(H,14,15);2H,1H3,(H,7,8,9);1-4H
InChIKeyAMDMMEWOAOSWQK-UHFFFAOYSA-N
MW1235.78 g/mol
LogP6.53
Rot. Bonds7

About 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one

1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 157158983) has the molecular formula C61H63ClN22O6 and a molecular weight of 1235.78 g/mol. Its IUPAC name is 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID157158983
Molecular FormulaC61H63ClN22O6
Molecular Weight1235.78 g/mol
Exact Mass1234.50
IUPAC Name1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCNc1ncnc(Cl)c1[N+](=O)[O-].CNc1ncnc(N2CCC3(CC2)C(=O)Nc2ccccc23)c1N.Cn1c(-c2cncnc2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21.O=C1Nc2ccccc2C12CCNCC2.O=Cc1cncnc1
InChIInChI=1S/C22H20N8O.C17H20N6O.C12H14N2O.C5H5ClN4O2.C5H4N2O/c1-29-18(14-10-23-12-24-11-14)28-17-19(29)25-13-26-20(17)30-8-6-22(7-9-30)15-4-2-3-5-16(15)27-21(22)31;1-19-14-13(18)15(21-10-20-14)23-8-6-17(7-9-23)11-4-2-3-5-12(11)22-16(17)24;15-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)14-11;1-7-5-3(10(11)12)4(6)8-2-9-5;8-3-5-1-6-4-7-2-5/h2-5,10-13H,6-9H2,1H3,(H,27,31);2-5,10H,6-9,18H2,1H3,(H,22,24)(H,19,20,21);1-4,13H,5-8H2,(H,14,15);2H,1H3,(H,7,8,9);1-4H
InChIKeyAMDMMEWOAOSWQK-UHFFFAOYSA-N
XLogP6.53
TPSA362.82 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001235.78
LogP ≤ 56.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[2-(benzylamino)ethyl]-1-ethylimidazo[4,5-c]pyridine-7-carboxamide;2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]imidazo[4,5-c]pyridine-7-carboxamide
CID 69850551
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-N-(2-phenylethyl)benzamide;[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 69850793
2-[4-[[1-(6-Tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]ethyl-dimethyl-[(1-methyl-2-nitroimidazol-4-yl)methyl]azanium;2-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]ethyl-dimethyl-[(1-methyl-5-nitroimidazol-4-yl)methyl]azanium
CID 157193436
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbaldehyde;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;1-(1H-indol-2-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 157827423
azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;1-fluoro-3-nitrobenzene;iron;methane;bis(N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-2,3-dihydroindole-3-carboxamide);1-methyl-4-(3-nitrophenyl)piperazine;3-(4-methylpiperazin-1-yl)aniline;1-methylpyrazin-1-ium;hydrochloride
CID 157853894
aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
CID 158617783
2-[4-[[1-(6-Tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]ethyl-dimethyl-[(1-methyl-2-nitroimidazol-4-yl)methyl]azanium;2-[4-[[1-(6-tert-butyl-2-pyridinyl)-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]ethyl-dimethyl-[(1-methyl-5-nitroimidazol-4-yl)methyl]azanium;methane
CID 158784569
1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 160146601
Azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;iron;methane;1-methylpiperazine;4-[(4-methylpiperazin-1-yl)methyl]aniline;bis(1-[2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide);(4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone;4-nitrobenzoyl chloride;hydrochloride
CID 160885677
aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
CID 162158636
N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;phenylazanium;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
CID 162158637

Frequently Asked Questions

What is the IUPAC name of 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one (CID 157158983) is 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one is CNc1ncnc(Cl)c1[N+](=O)[O-].CNc1ncnc(N2CCC3(CC2)C(=O)Nc2ccccc23)c1N.Cn1c(-c2cncnc2)nc2c(N3CCC4(CC3)C(=O)Nc3ccccc34)ncnc21.O=C1Nc2ccccc2C12CCNCC2.O=Cc1cncnc1.
What is the InChIKey of 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is AMDMMEWOAOSWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O.C17H20N6O.C12H14N2O.C5H5ClN4O2.C5H4N2O/c1-29-18(14-10-23-12-24-11-14)28-17-19(29)25-13-26-20(17)30-8-6-22(7-9-30)15-4-2-3-5-16(15)27-21(22)31;1-19-14-13(18)15(21-10-20-14)23-8-6-17(7-9-23)11-4-2-3-5-12(11)22-16(17)24;15-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)14-11;1-7-5-3(10(11)12)4(6)8-2-9-5;8-3-5-1-6-4-7-2-5/h2-5,10-13H,6-9H2,1H3,(H,27,31);2-5,10H,6-9,18H2,1H3,(H,22,24)(H,19,20,21);1-4,13H,5-8H2,(H,14,15);2H,1H3,(H,7,8,9);1-4H.
What are the key properties of 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 1235.78 g/mol, XLogP of 6.53, 7 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-amino-6-(methylamino)pyrimidin-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-N-methyl-5-nitropyrimidin-4-amine;1'-(9-methyl-8-pyrimidin-5-ylpurin-6-yl)spiro[1H-indole-3,4'-piperidine]-2-one;pyrimidine-5-carbaldehyde;spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 157158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).