2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane

C66H88Cl5N17O11 — CID 157201048

IUPAC2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane
SMILESCCc1cc(Cl)ncc1N.CCc1cc(Cl)ncc1[N+](=O)[O-].CN.COC(OC)OC.COc1ccc(N)cc1OCCCN1CCCC1.COc1ccc(Nc2cc3c(cn2)cnn3C)cc1OCCCN1CCCC1.Cn1ncc2cnc(Cl)cc21.O=[N+]([O-])c1cnc(Cl)cc1Cl
InChIInChI=1S/C21H27N5O2.C14H22N2O2.C7H6ClN3.C7H7ClN2O2.C7H9ClN2.C5H2Cl2N2O2.C4H10O3.CH5N/c1-25-18-13-21(22-14-16(18)15-23-25)24-17-6-7-19(27-2)20(12-17)28-11-5-10-26-8-3-4-9-26;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-11-6-2-7(8)9-3-5(6)4-10-11;1-2-5-3-7(8)9-4-6(5)10(11)12;1-2-5-3-7(8)10-4-6(5)9;6-3-1-5(7)8-2-4(3)9(10)11;1-5-4(6-2)7-3;1-2/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,22,24);5-6,11H,2-4,7-10,15H2,1H3;2-4H,1H3;3-4H,2H2,1H3;3-4H,2,9H2,1H3;1-2H;4H,1-3H3;2H2,1H3
InChIKeyAQULMUTWOMANNY-UHFFFAOYSA-N
MW1472.80 g/mol
LogP13.51
Rot. Bonds21

About 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane

2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane (PubChem CID 157201048) has the molecular formula C66H88Cl5N17O11 and a molecular weight of 1472.80 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane
PubChem CID157201048
Molecular FormulaC66H88Cl5N17O11
Molecular Weight1472.80 g/mol
Exact Mass1469.53
IUPAC Name2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane
SMILESCCc1cc(Cl)ncc1N.CCc1cc(Cl)ncc1[N+](=O)[O-].CN.COC(OC)OC.COc1ccc(N)cc1OCCCN1CCCC1.COc1ccc(Nc2cc3c(cn2)cnn3C)cc1OCCCN1CCCC1.Cn1ncc2cnc(Cl)cc21.O=[N+]([O-])c1cnc(Cl)cc1Cl
InChIInChI=1S/C21H27N5O2.C14H22N2O2.C7H6ClN3.C7H7ClN2O2.C7H9ClN2.C5H2Cl2N2O2.C4H10O3.CH5N/c1-25-18-13-21(22-14-16(18)15-23-25)24-17-6-7-19(27-2)20(12-17)28-11-5-10-26-8-3-4-9-26;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-11-6-2-7(8)9-3-5(6)4-10-11;1-2-5-3-7(8)9-4-6(5)10(11)12;1-2-5-3-7(8)10-4-6(5)9;6-3-1-5(7)8-2-4(3)9(10)11;1-5-4(6-2)7-3;1-2/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,22,24);5-6,11H,2-4,7-10,15H2,1H3;2-4H,1H3;3-4H,2H2,1H3;3-4H,2,9H2,1H3;1-2H;4H,1-3H3;2H2,1H3
InChIKeyAQULMUTWOMANNY-UHFFFAOYSA-N
XLogP13.51
TPSA347.55 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001472.80
LogP ≤ 513.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane with MolForge

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Related Compounds

2-[[2-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)anilino]-4-pyridinyl]amino]-N-methyl-N-phenylacetamide;molecular hydrogen
CID 145385424
N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-amine
CID 166650087
N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine
CID 158636499
3-[2-(4,4-dimethylpiperidin-1-yl)ethoxy]-4-methoxyaniline;1-[2-(2-methoxy-5-nitrophenoxy)ethyl]-4,4-dimethylpiperidine
CID 158012628
2-chloro-N,6-dimethylpyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-4-N,6-dimethylpyridine-2,4-diamine
CID 160644671
4-methoxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82096092
6-chloro-N-(3-methoxy-4-nitrophenyl)pyrimidin-4-amine
CID 169224624
4-[[8-chloro-2-oxo-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 135378353
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
2-N,4-N-bis(3,4-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine;2,4-dichloro-5-nitropyrimidine
CID 157386762
4-N-(3-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)-2-N-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 176696478
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane?
The IUPAC name of 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane (CID 157201048) is 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane.
What is the SMILES notation for 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane?
The canonical SMILES for 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane is CCc1cc(Cl)ncc1N.CCc1cc(Cl)ncc1[N+](=O)[O-].CN.COC(OC)OC.COc1ccc(N)cc1OCCCN1CCCC1.COc1ccc(Nc2cc3c(cn2)cnn3C)cc1OCCCN1CCCC1.Cn1ncc2cnc(Cl)cc21.O=[N+]([O-])c1cnc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane?
The InChIKey is AQULMUTWOMANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.C14H22N2O2.C7H6ClN3.C7H7ClN2O2.C7H9ClN2.C5H2Cl2N2O2.C4H10O3.CH5N/c1-25-18-13-21(22-14-16(18)15-23-25)24-17-6-7-19(27-2)20(12-17)28-11-5-10-26-8-3-4-9-26;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-11-6-2-7(8)9-3-5(6)4-10-11;1-2-5-3-7(8)9-4-6(5)10(11)12;1-2-5-3-7(8)10-4-6(5)9;6-3-1-5(7)8-2-4(3)9(10)11;1-5-4(6-2)7-3;1-2/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,22,24);5-6,11H,2-4,7-10,15H2,1H3;2-4H,1H3;3-4H,2H2,1H3;3-4H,2,9H2,1H3;1-2H;4H,1-3H3;2H2,1H3.
What are the key properties of 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane?
2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane has a molecular weight of 1472.80 g/mol, XLogP of 13.51, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-nitropyridine;6-chloro-4-ethylpyridin-3-amine;6-chloro-1-methylpyrazolo[4,3-c]pyridine;2,4-dichloro-5-nitropyridine;methanamine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[4,3-c]pyridin-6-amine;trimethoxymethane is sourced from PubChem (CID 157201048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).