7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine

C84H82F3N21O7S — CID 161191873

About 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine

7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine (PubChem CID 161191873) has the molecular formula C84H82F3N21O7S and a molecular weight of 1586.78 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine.

Molecular Properties

• Compound Name: 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine
• PubChem CID: 161191873
• Molecular Formula: C84H82F3N21O7S
• Molecular Weight: 1586.78 g/mol
• Exact Mass: 1585.64
• IUPAC Name: 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine
• SMILES: CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2F)cc1.NO
• InChI: InChI=1S/C28H26FN7O.C25H22N6O2.C21H20FN7O.C10H11FO2S.H3NO/c1-34(15-17-6-3-2-4-7-17)25-13-23(21-16-35(18-9-10-18)26-19(21)8-5-11-30-26)32-27-20(14-31-36(25)27)28(37)33-24-12-22(24)29;1-29(14-16-6-3-2-4-7-16)22-12-21(28-24-19(25(32)33)13-27-31(22)24)20-15-30(17-9-10-17)23-18(20)8-5-11-26-23;1-23-18-8-16(14-10-28(11-4-5-11)19-12(14)3-2-6-24-19)26-20-13(9-25-29(18)20)21(30)27-17-7-15(17)22;1-7-2-4-8(5-3-7)14(12,13)10-6-9(10)11;1-2/h2-8,11,13-14,16,18,22,24H,9-10,12,15H2,1H3,(H,33,37);2-8,11-13,15,17H,9-10,14H2,1H3,(H,32,33);2-3,6,8-11,15,17,23H,4-5,7H2,1H3,(H,27,30);2-5,9-10H,6H2,1H3;2H,1H2/t22-,24+;;15-,17+;9-,10+;/m0.00./s1
• InChIKey: UTVDWOZIZLFGIM-GIMNBLKPSA-N
• XLogP: 13.15
• TPSA: 338.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1586.78
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine?

The IUPAC name of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine (CID 161191873) is 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine.

What is the SMILES notation for 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine?

The canonical SMILES for 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine is CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.CN(Cc1ccccc1)c1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)O)cnn12.CNc1cc(-c2cn(C3CC3)c3ncccc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2F)cc1.NO.

What is the InChIKey of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine?

The InChIKey is UTVDWOZIZLFGIM-GIMNBLKPSA-N. The full InChI is InChI=1S/C28H26FN7O.C25H22N6O2.C21H20FN7O.C10H11FO2S.H3NO/c1-34(15-17-6-3-2-4-7-17)25-13-23(21-16-35(18-9-10-18)26-19(21)8-5-11-30-26)32-27-20(14-31-36(25)27)28(37)33-24-12-22(24)29;1-29(14-16-6-3-2-4-7-16)22-12-21(28-24-19(25(32)33)13-27-31(22)24)20-15-30(17-9-10-17)23-18(20)8-5-11-26-23;1-23-18-8-16(14-10-28(11-4-5-11)19-12(14)3-2-6-24-19)26-20-13(9-25-29(18)20)21(30)27-17-7-15(17)22;1-7-2-4-8(5-3-7)14(12,13)10-6-9(10)11;1-2/h2-8,11,13-14,16,18,22,24H,9-10,12,15H2,1H3,(H,33,37);2-8,11-13,15,17H,9-10,14H2,1H3,(H,32,33);2-3,6,8-11,15,17,23H,4-5,7H2,1H3,(H,27,30);2-5,9-10H,6H2,1H3;2H,1H2/t22-,24+;;15-,17+;9-,10+;/m0.00./s1.

What are the key properties of 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine?

7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine has a molecular weight of 1586.78 g/mol, XLogP of 13.15, 20 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[(1R,2S)-2-fluorocyclopropyl]sulfonyl-4-methylbenzene;hydroxylamine is sourced from PubChem (CID 161191873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).