3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine

C71H85N27O5S — CID 162110821

IUPAC3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCOC(C)n1cc(-c2nc(N)nn3c(C)ccc23)cn1.CNc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2ccc(C)n2n1.Cc1ccc2c(-c3cnn(C(CC#N)C4CCCC4)c3)nc(N)nn12.O=C=O.[H]N=S(=O)(O)Cc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2ccc(C)n2n1
InChIInChI=1S/C19H23N7O2S.C19H23N7.C18H21N7.C14H18N6O.CO2/c1-13-6-7-17-19(23-18(24-26(13)17)12-29(21,27)28)15-10-22-25(11-15)16(8-9-20)14-4-2-3-5-14;1-13-7-8-17-18(23-19(21-2)24-26(13)17)15-11-22-25(12-15)16(9-10-20)14-5-3-4-6-14;1-12-6-7-16-17(22-18(20)23-25(12)16)14-10-21-24(11-14)15(8-9-19)13-4-2-3-5-13;1-4-21-10(3)19-8-11(7-16-19)13-12-6-5-9(2)20(12)18-14(15)17-13;2-1-3/h6-7,10-11,14,16H,2-5,8,12H2,1H3,(H2,21,27,28);7-8,11-12,14,16H,3-6,9H2,1-2H3,(H,21,24);6-7,10-11,13,15H,2-5,8H2,1H3,(H2,20,23);5-8,10H,4H2,1-3H3,(H2,15,18);
InChIKeyZGCZBTRATWBGOW-UHFFFAOYSA-N
MW1428.71 g/mol
LogP11.74
Rot. Bonds19

About 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine

3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 162110821) has the molecular formula C71H85N27O5S and a molecular weight of 1428.71 g/mol. Its IUPAC name is 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID162110821
Molecular FormulaC71H85N27O5S
Molecular Weight1428.71 g/mol
Exact Mass1427.69
IUPAC Name3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCOC(C)n1cc(-c2nc(N)nn3c(C)ccc23)cn1.CNc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2ccc(C)n2n1.Cc1ccc2c(-c3cnn(C(CC#N)C4CCCC4)c3)nc(N)nn12.O=C=O.[H]N=S(=O)(O)Cc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2ccc(C)n2n1
InChIInChI=1S/C19H23N7O2S.C19H23N7.C18H21N7.C14H18N6O.CO2/c1-13-6-7-17-19(23-18(24-26(13)17)12-29(21,27)28)15-10-22-25(11-15)16(8-9-20)14-4-2-3-5-14;1-13-7-8-17-18(23-19(21-2)24-26(13)17)15-11-22-25(12-15)16(9-10-20)14-5-3-4-6-14;1-12-6-7-16-17(22-18(20)23-25(12)16)14-10-21-24(11-14)15(8-9-19)13-4-2-3-5-13;1-4-21-10(3)19-8-11(7-16-19)13-12-6-5-9(2)20(12)18-14(15)17-13;2-1-3/h6-7,10-11,14,16H,2-5,8,12H2,1H3,(H2,21,27,28);7-8,11-12,14,16H,3-6,9H2,1-2H3,(H,21,24);6-7,10-11,13,15H,2-5,8H2,1H3,(H2,20,23);5-8,10H,4H2,1-3H3,(H2,15,18);
InChIKeyZGCZBTRATWBGOW-UHFFFAOYSA-N
XLogP11.74
TPSA432.00 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.71
LogP ≤ 511.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 162110821) is 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine is CCOC(C)n1cc(-c2nc(N)nn3c(C)ccc23)cn1.CNc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2ccc(C)n2n1.Cc1ccc2c(-c3cnn(C(CC#N)C4CCCC4)c3)nc(N)nn12.O=C=O.[H]N=S(=O)(O)Cc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2ccc(C)n2n1.
What is the InChIKey of 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is ZGCZBTRATWBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S.C19H23N7.C18H21N7.C14H18N6O.CO2/c1-13-6-7-17-19(23-18(24-26(13)17)12-29(21,27)28)15-10-22-25(11-15)16(8-9-20)14-4-2-3-5-14;1-13-7-8-17-18(23-19(21-2)24-26(13)17)15-11-22-25(12-15)16(9-10-20)14-5-3-4-6-14;1-12-6-7-16-17(22-18(20)23-25(12)16)14-10-21-24(11-14)15(8-9-19)13-4-2-3-5-13;1-4-21-10(3)19-8-11(7-16-19)13-12-6-5-9(2)20(12)18-14(15)17-13;2-1-3/h6-7,10-11,14,16H,2-5,8,12H2,1H3,(H2,21,27,28);7-8,11-12,14,16H,3-6,9H2,1-2H3,(H,21,24);6-7,10-11,13,15H,2-5,8H2,1H3,(H2,20,23);5-8,10H,4H2,1-3H3,(H2,15,18);.
What are the key properties of 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine?
3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 1428.71 g/mol, XLogP of 11.74, 19 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile;carbon dioxide;[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid;3-cyclopentyl-3-[4-[7-methyl-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile;4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 162110821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).