cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid

C76H94N10O13S — CID 159170202

IUPACcyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid
SMILESCC(C)=C(OC(=O)C(C)C)c1c(C2CC2)nn2ccccc12.CC(C)C(=O)OC(=O)C(C)C.CC(C)C(=O)c1c(C2CC2)nn2ccccc12.O=C(c1c(C2CC2)nn2ccccc12)C1CC1.O=S(=O)(O)O.OCCO.c1ccn2nc(C3CC3)cc2c1.c1ccn2nc(C3CC3)cc2c1
InChIInChI=1S/C18H22N2O2.C14H14N2O.C14H16N2O.2C10H10N2.C8H14O3.C2H6O2.H2O4S/c1-11(2)17(22-18(21)12(3)4)15-14-7-5-6-10-20(14)19-16(15)13-8-9-13;17-14(10-6-7-10)12-11-3-1-2-8-16(11)15-13(12)9-4-5-9;1-9(2)14(17)12-11-5-3-4-8-16(11)15-13(12)10-6-7-10;2*1-2-6-12-9(3-1)7-10(11-12)8-4-5-8;1-5(2)7(9)11-8(10)6(3)4;3-1-2-4;1-5(2,3)4/h5-7,10,12-13H,8-9H2,1-4H3;1-3,8-10H,4-7H2;3-5,8-10H,6-7H2,1-2H3;2*1-3,6-8H,4-5H2;5-6H,1-4H3;3-4H,1-2H2;(H2,1,2,3,4)
InChIKeyVGDBZKCCYJCWGJ-UHFFFAOYSA-N
MW1387.71 g/mol
LogP14.13
Rot. Bonds15

About cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid

cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid (PubChem CID 159170202) has the molecular formula C76H94N10O13S and a molecular weight of 1387.71 g/mol. Its IUPAC name is cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid.

Molecular Properties

Compound Namecyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid
PubChem CID159170202
Molecular FormulaC76H94N10O13S
Molecular Weight1387.71 g/mol
Exact Mass1386.67
IUPAC Namecyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid
SMILESCC(C)=C(OC(=O)C(C)C)c1c(C2CC2)nn2ccccc12.CC(C)C(=O)OC(=O)C(C)C.CC(C)C(=O)c1c(C2CC2)nn2ccccc12.O=C(c1c(C2CC2)nn2ccccc12)C1CC1.O=S(=O)(O)O.OCCO.c1ccn2nc(C3CC3)cc2c1.c1ccn2nc(C3CC3)cc2c1
InChIInChI=1S/C18H22N2O2.C14H14N2O.C14H16N2O.2C10H10N2.C8H14O3.C2H6O2.H2O4S/c1-11(2)17(22-18(21)12(3)4)15-14-7-5-6-10-20(14)19-16(15)13-8-9-13;17-14(10-6-7-10)12-11-3-1-2-8-16(11)15-13(12)9-4-5-9;1-9(2)14(17)12-11-5-3-4-8-16(11)15-13(12)10-6-7-10;2*1-2-6-12-9(3-1)7-10(11-12)8-4-5-8;1-5(2)7(9)11-8(10)6(3)4;3-1-2-4;1-5(2,3)4/h5-7,10,12-13H,8-9H2,1-4H3;1-3,8-10H,4-7H2;3-5,8-10H,6-7H2,1-2H3;2*1-3,6-8H,4-5H2;5-6H,1-4H3;3-4H,1-2H2;(H2,1,2,3,4)
InChIKeyVGDBZKCCYJCWGJ-UHFFFAOYSA-N
XLogP14.13
TPSA305.37 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001387.71
LogP ≤ 514.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Hexakis(methyl pyrazolo[1,5-a]pyridin-8-ium-1-ide-3-carboxylate);tris(palladium(2+));hexaacetate
CID 168332577
Dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate
CID 157056341
Methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
CID 157808504
Methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
CID 158231986
Ethyl 2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanol
CID 159867281
5-(Azidomethyl)pyrazolo[1,5-a]pyridine;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;pyrazolo[1,5-a]pyridin-5-ylmethanamine;pyrazolo[1,5-a]pyridin-5-ylmethanol;tetrakis(yttrium)
CID 160567394
Methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
CID 161143973
Sodium;dichloromethane;dioxomanganese;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid;(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanol;hydroxide
CID 161870245
3-Amino-2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;3-(benzylamino)-2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;benzyl-[2-methyl-3-oxo-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propyl]azanium;2-cyclopropylpyrazolo[1,5-a]pyridine;1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;[2-methyl-3-oxo-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propyl]azanium;2-methylpropanoyl 2-methylpropanoate;2-propan-2-ylpyrazolo[1,5-a]pyridine;1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;sulfuric acid;dichloride
CID 161979081
[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656034
methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656259
methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656298

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid?
The IUPAC name of cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid (CID 159170202) is cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid.
What is the SMILES notation for cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid?
The canonical SMILES for cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid is CC(C)=C(OC(=O)C(C)C)c1c(C2CC2)nn2ccccc12.CC(C)C(=O)OC(=O)C(C)C.CC(C)C(=O)c1c(C2CC2)nn2ccccc12.O=C(c1c(C2CC2)nn2ccccc12)C1CC1.O=S(=O)(O)O.OCCO.c1ccn2nc(C3CC3)cc2c1.c1ccn2nc(C3CC3)cc2c1.
What is the InChIKey of cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid?
The InChIKey is VGDBZKCCYJCWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.C14H14N2O.C14H16N2O.2C10H10N2.C8H14O3.C2H6O2.H2O4S/c1-11(2)17(22-18(21)12(3)4)15-14-7-5-6-10-20(14)19-16(15)13-8-9-13;17-14(10-6-7-10)12-11-3-1-2-8-16(11)15-13(12)9-4-5-9;1-9(2)14(17)12-11-5-3-4-8-16(11)15-13(12)10-6-7-10;2*1-2-6-12-9(3-1)7-10(11-12)8-4-5-8;1-5(2)7(9)11-8(10)6(3)4;3-1-2-4;1-5(2,3)4/h5-7,10,12-13H,8-9H2,1-4H3;1-3,8-10H,4-7H2;3-5,8-10H,6-7H2,1-2H3;2*1-3,6-8H,4-5H2;5-6H,1-4H3;3-4H,1-2H2;(H2,1,2,3,4).
What are the key properties of cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid?
cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid has a molecular weight of 1387.71 g/mol, XLogP of 14.13, 15 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)methanone;bis(2-cyclopropylpyrazolo[1,5-a]pyridine);1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one;[1-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylprop-1-enyl] 2-methylpropanoate;ethane-1,2-diol;2-methylpropanoyl 2-methylpropanoate;sulfuric acid is sourced from PubChem (CID 159170202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).