4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C47H71N13O3 — CID 159753999

IUPAC4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCN1CCC(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1
InChIInChI=1S/C14H18N2O.C10H18N4.C9H11N3.C7H11N3.C7H13NO2/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-10-3-2-7-6(5-10)4-8-9-7;1-8-4-2-6(3-5-8)7(9)10/h2-5,12H,6-10H2,1H3;10H,4-7H2,1-3H3;2-5,7,10H,6H2,1H3;4H,2-3,5H2,1H3,(H,8,9);6H,2-5H2,1H3,(H,9,10)
InChIKeyNEABORRFADFNON-UHFFFAOYSA-N
MW866.17 g/mol
LogP4.70
Rot. Bonds5

About 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 159753999) has the molecular formula C47H71N13O3 and a molecular weight of 866.17 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID159753999
Molecular FormulaC47H71N13O3
Molecular Weight866.17 g/mol
Exact Mass865.58
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCN1CCC(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1
InChIInChI=1S/C14H18N2O.C10H18N4.C9H11N3.C7H11N3.C7H13NO2/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-10-3-2-7-6(5-10)4-8-9-7;1-8-4-2-6(3-5-8)7(9)10/h2-5,12H,6-10H2,1H3;10H,4-7H2,1-3H3;2-5,7,10H,6H2,1H3;4H,2-3,5H2,1H3,(H,8,9);6H,2-5H2,1H3,(H,9,10)
InChIKeyNEABORRFADFNON-UHFFFAOYSA-N
XLogP4.70
TPSA159.29 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.17
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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Related Compounds

N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136213870
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-cyclopropylurea;1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]phenyl]-3-ethylurea;3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-amine
CID 87151742
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
N-[5-[3-[4-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 145664821
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-4-yl]-2-methylpropanamide
CID 145664898
3-[4-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
CID 146410440
2-methyl-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine;5-piperazin-1-yl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one;5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine;6-piperazin-1-yl-1H-imidazo[4,5-b]pyridine;6-piperazin-1-yl-3H-imidazo[4,5-c]pyridine;2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidine;5-piperazin-1-yl-2H-triazolo[4,5-b]pyridine;5-piperazin-1-yl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 157249070
N,N-dimethyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;N-ethyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
CID 157359552
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157386437
(3R,4R)-4-amino-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol;(3S,4S)-4-amino-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol;3-[6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
CID 158130068
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 158379684

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 159753999) is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CN1CCC(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is NEABORRFADFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C10H18N4.C9H11N3.C7H11N3.C7H13NO2/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-10-3-2-7-6(5-10)4-8-9-7;1-8-4-2-6(3-5-8)7(9)10/h2-5,12H,6-10H2,1H3;10H,4-7H2,1-3H3;2-5,7,10H,6H2,1H3;4H,2-3,5H2,1H3,(H,8,9);6H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 866.17 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-methylpiperidine-4-carboxylic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 159753999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).