tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride

C56H88Cl2N18O4 — CID 159662872

IUPACtert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride
SMILESC.CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1.CN[C@@H]1CCN(c2cc(N)nc(-c3cnn(C)c3C)c2)C1.Cc1c(-c2cc(Cl)cc(N)n2)cnn1C.Cc1c(-c2cc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc(N)n2)cnn1C.Cl
InChIInChI=1S/C20H30N6O2.C15H22N6.C10H11ClN4.C10H20N2O2.CH4.ClH/c1-13-16(11-22-25(13)6)17-9-15(10-18(21)23-17)26-8-7-14(12-26)24(5)19(27)28-20(2,3)4;1-10-13(8-18-20(10)3)14-6-12(7-15(16)19-14)21-5-4-11(9-21)17-2;1-6-8(5-13-15(6)2)9-3-7(11)4-10(12)14-9;1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;;/h9-11,14H,7-8,12H2,1-6H3,(H2,21,23);6-8,11,17H,4-5,9H2,1-3H3,(H2,16,19);3-5H,1-2H3,(H2,12,14);8,11H,5-7H2,1-4H3;1H4;1H/t14-;11-;;8-;;/m11.1../s1
InChIKeyQYEAYSITZQYYKG-AUXABJEKSA-N
MW1148.35 g/mol
LogP8.29
Rot. Bonds8

About tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride

tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride (PubChem CID 159662872) has the molecular formula C56H88Cl2N18O4 and a molecular weight of 1148.35 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride
PubChem CID159662872
Molecular FormulaC56H88Cl2N18O4
Molecular Weight1148.35 g/mol
Exact Mass1146.66
IUPAC Nametert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride
SMILESC.CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1.CN[C@@H]1CCN(c2cc(N)nc(-c3cnn(C)c3C)c2)C1.Cc1c(-c2cc(Cl)cc(N)n2)cnn1C.Cc1c(-c2cc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc(N)n2)cnn1C.Cl
InChIInChI=1S/C20H30N6O2.C15H22N6.C10H11ClN4.C10H20N2O2.CH4.ClH/c1-13-16(11-22-25(13)6)17-9-15(10-18(21)23-17)26-8-7-14(12-26)24(5)19(27)28-20(2,3)4;1-10-13(8-18-20(10)3)14-6-12(7-15(16)19-14)21-5-4-11(9-21)17-2;1-6-8(5-13-15(6)2)9-3-7(11)4-10(12)14-9;1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;;/h9-11,14H,7-8,12H2,1-6H3,(H2,21,23);6-8,11,17H,4-5,9H2,1-3H3,(H2,16,19);3-5H,1-2H3,(H2,12,14);8,11H,5-7H2,1-4H3;1H4;1H/t14-;11-;;8-;;/m11.1../s1
InChIKeyQYEAYSITZQYYKG-AUXABJEKSA-N
XLogP8.29
TPSA259.81 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.35
LogP ≤ 58.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride with MolForge

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Related Compounds

US10023570, Example 334
CID 124200080
US10023570, Example 325
CID 124200115
tert-butyl (1S,4S)-5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-chloropyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-(2,6-dichloropyrimidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine;methane;hydrochloride
CID 158123669
tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;deuterioethane;4-(1,3-dimethylpyrazol-4-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,2,2-trifluoroacetaldehyde
CID 159061376
tert-butyl (1S,4S)-5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-chloropyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-(2,6-dichloropyrimidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 161821584
tert-butyl N-[(3S)-1-[3-chloro-6-[6-(5-ethyl-3-pyridyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridyl]-3-piperidyl]carbamate
CID 86707036
tert-butyl 4-[4-[6-amino-5-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 141450033
tert-butyl N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chloro-5-isocyanopyridine;3,5-dimethyl-1H-pyrazole;2-(3,5-dimethylpyrazol-1-yl)-5-isocyanopyridine;[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine;hydrochloride
CID 157056794
tert-butyl N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]carbamate;2-chloro-5-isocyanopyridine;3,5-dimethyl-1H-pyrazole;2-(3,5-dimethylpyrazol-1-yl)-5-isocyanopyridine;[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 157092957
Tert-butyl 3-[[[5-(1-methylpyrazol-4-yl)-2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine;2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine
CID 158556717
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[(5-chloro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)methyl]piperidine-1-carboxylate;3-[5-chloro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]pyrazolo[1,5-a]pyridine;3-(4,5-dichloropyrimidin-2-yl)pyrazolo[1,5-a]pyridine
CID 159363133
tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate;4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;methane;7-(1H-pyrazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]quinoline-2,4-diamine
CID 159518834

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride?
The IUPAC name of tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride (CID 159662872) is tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride is C.CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1.CN[C@@H]1CCN(c2cc(N)nc(-c3cnn(C)c3C)c2)C1.Cc1c(-c2cc(Cl)cc(N)n2)cnn1C.Cc1c(-c2cc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)cc(N)n2)cnn1C.Cl.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride?
The InChIKey is QYEAYSITZQYYKG-AUXABJEKSA-N. The full InChI is InChI=1S/C20H30N6O2.C15H22N6.C10H11ClN4.C10H20N2O2.CH4.ClH/c1-13-16(11-22-25(13)6)17-9-15(10-18(21)23-17)26-8-7-14(12-26)24(5)19(27)28-20(2,3)4;1-10-13(8-18-20(10)3)14-6-12(7-15(16)19-14)21-5-4-11(9-21)17-2;1-6-8(5-13-15(6)2)9-3-7(11)4-10(12)14-9;1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;;/h9-11,14H,7-8,12H2,1-6H3,(H2,21,23);6-8,11,17H,4-5,9H2,1-3H3,(H2,16,19);3-5H,1-2H3,(H2,12,14);8,11H,5-7H2,1-4H3;1H4;1H/t14-;11-;;8-;;/m11.1../s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride?
tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride has a molecular weight of 1148.35 g/mol, XLogP of 8.29, 8 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-(1,5-dimethylpyrazol-4-yl)pyridin-2-amine;6-(1,5-dimethylpyrazol-4-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;methane;hydrochloride is sourced from PubChem (CID 159662872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).