3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine

C98H127BrCl2N28O17 — CID 157293103

About 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine

3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine (PubChem CID 157293103) has the molecular formula C98H127BrCl2N28O17 and a molecular weight of 2120.08 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine.

Molecular Properties

• Compound Name: 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine
• PubChem CID: 157293103
• Molecular Formula: C98H127BrCl2N28O17
• Molecular Weight: 2120.08 g/mol
• Exact Mass: 2116.85
• IUPAC Name: 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine
• SMILES: Brc1ccccn1.CC(C)(CN)CO.CCCNC.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NCC(C)(C)CO)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.Nc1ccc[nH]c1=O.Nc1cccn(-c2ccccn2)c1=O.Nc1cccn(-c2ccccn2)c1=O
• InChI: InChI=1S/C28H34N8O5.C18H26ClN5O4.C13H15ClN4O4.2C10H9N3O.C5H4BrN.C5H6N2O.C5H13NO.C4H11N/c1-27(2,3)41-26(40)34(6)22-14-20(32-19-10-9-13-35(25(19)39)21-11-7-8-12-29-21)33-23-18(15-31-36(22)23)24(38)30-16-28(4,5)17-37;1-17(2,3)28-16(27)23(6)13-7-12(19)22-14-11(8-21-24(13)14)15(26)20-9-18(4,5)10-25;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;2*11-8-4-3-7-13(10(8)14)9-5-1-2-6-12-9;6-5-3-1-2-4-7-5;6-4-2-1-3-7-5(4)8;1-5(2,3-6)4-7;1-3-4-5-2/h7-15,37H,16-17H2,1-6H3,(H,30,38)(H,32,33);7-8,25H,9-10H2,1-6H3,(H,20,26);5-6H,1-4H3,(H,19,20);2*1-7H,11H2;1-4H;1-3H,6H2,(H,7,8);7H,3-4,6H2,1-2H3;5H,3-4H2,1-2H3
• InChIKey: BBAMTKNGOQSROM-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 613.94 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2120.08
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine?

The IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine (CID 157293103) is 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine.

What is the SMILES notation for 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine?

The canonical SMILES for 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine is Brc1ccccn1.CC(C)(CN)CO.CCCNC.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NCC(C)(C)CO)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.Nc1ccc[nH]c1=O.Nc1cccn(-c2ccccn2)c1=O.Nc1cccn(-c2ccccn2)c1=O.

What is the InChIKey of 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine?

The InChIKey is BBAMTKNGOQSROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O5.C18H26ClN5O4.C13H15ClN4O4.2C10H9N3O.C5H4BrN.C5H6N2O.C5H13NO.C4H11N/c1-27(2,3)41-26(40)34(6)22-14-20(32-19-10-9-13-35(25(19)39)21-11-7-8-12-29-21)33-23-18(15-31-36(22)23)24(38)30-16-28(4,5)17-37;1-17(2,3)28-16(27)23(6)13-7-12(19)22-14-11(8-21-24(13)14)15(26)20-9-18(4,5)10-25;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;2*11-8-4-3-7-13(10(8)14)9-5-1-2-6-12-9;6-5-3-1-2-4-7-5;6-4-2-1-3-7-5(4)8;1-5(2,3-6)4-7;1-3-4-5-2/h7-15,37H,16-17H2,1-6H3,(H,30,38)(H,32,33);7-8,25H,9-10H2,1-6H3,(H,20,26);5-6H,1-4H3,(H,19,20);2*1-7H,11H2;1-4H;1-3H,6H2,(H,7,8);7H,3-4,6H2,1-2H3;5H,3-4H2,1-2H3.

What are the key properties of 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine?

3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine has a molecular weight of 2120.08 g/mol, XLogP of 12.10, 21 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine is sourced from PubChem (CID 157293103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).