dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C103H110BrCl3F3K2N25O10 — CID 165000972

IUPACdipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)NC(=O)N(c1ccc3nn(C)cc3c1)C2.CN[C@@H]1CCCC[C@H]1NC.Cc1ccc(Br)cc1.Cc1nc(Cl)ccc1C=O.Cc1nc(Cl)ccc1CNc1ccc2nn(C)cc2c1.Cn1cc2cc(N)ccc2n1.Cn1cc2cc(N3Cc4ccc(Cl)nc4NC3=O)ccc2n1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C24H21F2N5O3.C17H17N5O2.C15H12ClN5O.C15H15ClN4.C8H9N3.C8H18N2.C7H7Br.C7H6ClNO.CH3F.CH2O3.2K.H/c1-3-33-21-11-4-15-14-30(18-7-10-20-16(12-18)13-29(2)28-20)24(32)31(22(15)27-21)17-5-8-19(9-6-17)34-23(25)26;1-3-24-15-7-4-11-10-22(17(23)19-16(11)18-15)13-5-6-14-12(8-13)9-21(2)20-14;1-20-7-10-6-11(3-4-12(10)19-20)21-8-9-2-5-13(16)17-14(9)18-15(21)22;1-10-11(3-6-15(16)18-10)8-17-13-4-5-14-12(7-13)9-20(2)19-14;1-11-5-6-4-7(9)2-3-8(6)10-11;1-9-7-5-3-4-6-8(7)10-2;1-6-2-4-7(8)5-3-6;1-5-6(4-10)2-3-7(8)9-5;1-2;2-1-4-3;;;/h4-13,23H,3,14H2,1-2H3;4-9H,3,10H2,1-2H3,(H,18,19,23);2-7H,8H2,1H3,(H,17,18,22);3-7,9,17H,8H2,1-2H3;2-5H,9H2,1H3;7-10H,3-6H2,1-2H3;2-5H,1H3;2-4H,1H3;1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/t;;;;;7-,8-;;;;;;;/m.....1......./s1/i;;;;;;;;1D;;;;
InChIKeyVJKXECAXAIAOAQ-ODCFFPROSA-M
MW2180.64 g/mol
LogP14.53
Rot. Bonds17

About dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 165000972) has the molecular formula C103H110BrCl3F3K2N25O10 and a molecular weight of 2180.64 g/mol. Its IUPAC name is dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Namedipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID165000972
Molecular FormulaC103H110BrCl3F3K2N25O10
Molecular Weight2180.64 g/mol
Exact Mass2176.64
IUPAC Namedipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)NC(=O)N(c1ccc3nn(C)cc3c1)C2.CN[C@@H]1CCCC[C@H]1NC.Cc1ccc(Br)cc1.Cc1nc(Cl)ccc1C=O.Cc1nc(Cl)ccc1CNc1ccc2nn(C)cc2c1.Cn1cc2cc(N)ccc2n1.Cn1cc2cc(N3Cc4ccc(Cl)nc4NC3=O)ccc2n1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
InChIInChI=1S/C24H21F2N5O3.C17H17N5O2.C15H12ClN5O.C15H15ClN4.C8H9N3.C8H18N2.C7H7Br.C7H6ClNO.CH3F.CH2O3.2K.H/c1-3-33-21-11-4-15-14-30(18-7-10-20-16(12-18)13-29(2)28-20)24(32)31(22(15)27-21)17-5-8-19(9-6-17)34-23(25)26;1-3-24-15-7-4-11-10-22(17(23)19-16(11)18-15)13-5-6-14-12(8-13)9-21(2)20-14;1-20-7-10-6-11(3-4-12(10)19-20)21-8-9-2-5-13(16)17-14(9)18-15(21)22;1-10-11(3-6-15(16)18-10)8-17-13-4-5-14-12(7-13)9-20(2)19-14;1-11-5-6-4-7(9)2-3-8(6)10-11;1-9-7-5-3-4-6-8(7)10-2;1-6-2-4-7(8)5-3-6;1-5-6(4-10)2-3-7(8)9-5;1-2;2-1-4-3;;;/h4-13,23H,3,14H2,1-2H3;4-9H,3,10H2,1-2H3,(H,18,19,23);2-7H,8H2,1H3,(H,17,18,22);3-7,9,17H,8H2,1-2H3;2-5H,9H2,1H3;7-10H,3-6H2,1-2H3;2-5H,1H3;2-4H,1H3;1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/t;;;;;7-,8-;;;;;;;/m.....1......./s1/i;;;;;;;;1D;;;;
InChIKeyVJKXECAXAIAOAQ-ODCFFPROSA-M
XLogP14.53
TPSA398.01 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002180.64
LogP ≤ 514.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine 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

7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline;7-bromo-1,5-dihydropyrazolo[4,5-c]quinolin-4-one;7-bromo-2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]quinolin-4-one;bis(7-bromo-1H-pyrazolo[4,5-c]quinolin-4-amine);tert-butyl N-[2-(4-amino-7-bromopyrazolo[4,3-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
CID 161483264
CID 165063901
CID 165063901

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 165000972) is dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)NC(=O)N(c1ccc3nn(C)cc3c1)C2.CN[C@@H]1CCCC[C@H]1NC.Cc1ccc(Br)cc1.Cc1nc(Cl)ccc1C=O.Cc1nc(Cl)ccc1CNc1ccc2nn(C)cc2c1.Cn1cc2cc(N)ccc2n1.Cn1cc2cc(N3Cc4ccc(Cl)nc4NC3=O)ccc2n1.O=CO[O-].[2H]CF.[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is VJKXECAXAIAOAQ-ODCFFPROSA-M. The full InChI is InChI=1S/C24H21F2N5O3.C17H17N5O2.C15H12ClN5O.C15H15ClN4.C8H9N3.C8H18N2.C7H7Br.C7H6ClNO.CH3F.CH2O3.2K.H/c1-3-33-21-11-4-15-14-30(18-7-10-20-16(12-18)13-29(2)28-20)24(32)31(22(15)27-21)17-5-8-19(9-6-17)34-23(25)26;1-3-24-15-7-4-11-10-22(17(23)19-16(11)18-15)13-5-6-14-12(8-13)9-21(2)20-14;1-20-7-10-6-11(3-4-12(10)19-20)21-8-9-2-5-13(16)17-14(9)18-15(21)22;1-10-11(3-6-15(16)18-10)8-17-13-4-5-14-12(7-13)9-20(2)19-14;1-11-5-6-4-7(9)2-3-8(6)10-11;1-9-7-5-3-4-6-8(7)10-2;1-6-2-4-7(8)5-3-6;1-5-6(4-10)2-3-7(8)9-5;1-2;2-1-4-3;;;/h4-13,23H,3,14H2,1-2H3;4-9H,3,10H2,1-2H3,(H,18,19,23);2-7H,8H2,1H3,(H,17,18,22);3-7,9,17H,8H2,1-2H3;2-5H,9H2,1H3;7-10H,3-6H2,1-2H3;2-5H,1H3;2-4H,1H3;1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/t;;;;;7-,8-;;;;;;;/m.....1......./s1/i;;;;;;;;1D;;;;.
What are the key properties of dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?
dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 2180.64 g/mol, XLogP of 14.53, 17 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-bromo-4-methylbenzene;7-chloro-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;6-chloro-2-methylpyridine-3-carbaldehyde;N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-methylindazol-5-amine;deuterio(fluoro)methane;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydride;2-methylindazol-5-amine;oxido formate;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 165000972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).