3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine

C82H100BrClN24O12 — CID 157280188

About 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine

3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine (PubChem CID 157280188) has the molecular formula C82H100BrClN24O12 and a molecular weight of 1729.21 g/mol. Its IUPAC name is 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine
• PubChem CID: 157280188
• Molecular Formula: C82H100BrClN24O12
• Molecular Weight: 1729.21 g/mol
• Exact Mass: 1726.68
• IUPAC Name: 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine
• SMILES: Brc1ccccn1.CNCCNC.CO[C@@H]1CCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)C1.CO[C@@H]1CCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(-c5ccccn5)c4=O)nc23)C1.Nc1ccc[nH]c1=O.Nc1cccn(-c2ccccn2)c1=O.Nc1cccn(-c2ccccn2)c1=O
• InChI: InChI=1S/C29H34N8O5.C19H26ClN5O4.2C10H9N3O.C5H4BrN.C5H6N2O.C4H12N2/c1-29(2,3)42-28(40)35(4)24-16-22(33-21-9-8-14-36(27(21)39)23-10-6-7-13-30-23)34-25-20(17-31-37(24)25)26(38)32-18-11-12-19(15-18)41-5;1-19(2,3)29-18(27)24(4)15-9-14(20)23-16-13(10-21-25(15)16)17(26)22-11-6-7-12(8-11)28-5;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;1-5-3-4-6-2/h6-10,13-14,16-19H,11-12,15H2,1-5H3,(H,32,38)(H,33,34);9-12H,6-8H2,1-5H3,(H,22,26);2*1-7H,11H2;1-4H;1-3H,6H2,(H,7,8);5-6H,3-4H2,1-2H3/t18?,19-;11?,12-;;;;;/m11...../s1
• InChIKey: AZONTPYRKZDDLM-TWNSRJAPSA-N
• XLogP: 9.59
• TPSA: 460.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1729.21
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine?

The IUPAC name of 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine (CID 157280188) is 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine.

What is the SMILES notation for 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine?

The canonical SMILES for 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine is Brc1ccccn1.CNCCNC.CO[C@@H]1CCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)C1.CO[C@@H]1CCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(-c5ccccn5)c4=O)nc23)C1.Nc1ccc[nH]c1=O.Nc1cccn(-c2ccccn2)c1=O.Nc1cccn(-c2ccccn2)c1=O.

What is the InChIKey of 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine?

The InChIKey is AZONTPYRKZDDLM-TWNSRJAPSA-N. The full InChI is InChI=1S/C29H34N8O5.C19H26ClN5O4.2C10H9N3O.C5H4BrN.C5H6N2O.C4H12N2/c1-29(2,3)42-28(40)35(4)24-16-22(33-21-9-8-14-36(27(21)39)23-10-6-7-13-30-23)34-25-20(17-31-37(24)25)26(38)32-18-11-12-19(15-18)41-5;1-19(2,3)29-18(27)24(4)15-9-14(20)23-16-13(10-21-25(15)16)17(26)22-11-6-7-12(8-11)28-5;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;1-5-3-4-6-2/h6-10,13-14,16-19H,11-12,15H2,1-5H3,(H,32,38)(H,33,34);9-12H,6-8H2,1-5H3,(H,22,26);2*1-7H,11H2;1-4H;1-3H,6H2,(H,7,8);5-6H,3-4H2,1-2H3/t18?,19-;11?,12-;;;;;/m11...../s1.

What are the key properties of 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine?

3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine has a molecular weight of 1729.21 g/mol, XLogP of 9.59, 16 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 157280188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).