5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid

C48H50Cl2N14O5 — CID 159319531

About 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid

5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid (PubChem CID 159319531) has the molecular formula C48H50Cl2N14O5 and a molecular weight of 973.93 g/mol. Its IUPAC name is 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid
• PubChem CID: 159319531
• Molecular Formula: C48H50Cl2N14O5
• Molecular Weight: 973.93 g/mol
• Exact Mass: 972.35
• IUPAC Name: 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid
• SMILES: N[C@H]1CCC[C@@H](Nc2ncc(Cl)c(C3C(=O)Nc4ccccc43)n2)C1.Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(C4C(=O)Nc5ccccc54)n3)C2)nc1.Nc1ccc(C(=O)O)nc1
• InChI: InChI=1S/C24H24ClN7O2.C18H20ClN5O.C6H6N2O2/c25-17-12-28-24(32-21(17)20-16-6-1-2-7-18(16)31-23(20)34)30-15-5-3-4-14(10-15)29-22(33)19-9-8-13(26)11-27-19;19-13-9-21-18(22-11-5-3-4-10(20)8-11)24-16(13)15-12-6-1-2-7-14(12)23-17(15)25;7-4-1-2-5(6(9)10)8-3-4/h1-2,6-9,11-12,14-15,20H,3-5,10,26H2,(H,29,33)(H,31,34)(H,28,30,32);1-2,6-7,9-11,15H,3-5,8,20H2,(H,23,25)(H,21,22,24);1-3H,7H2,(H,9,10)/t14-,15+,20?;10-,11+,15?;/m00./s1
• InChIKey: LDOPUIYCQLRCQS-CJIYEEDISA-N
• XLogP: 6.60
• TPSA: 304.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	973.93
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid?

The IUPAC name of 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid (CID 159319531) is 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid.

What is the SMILES notation for 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid?

The canonical SMILES for 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid is N[C@H]1CCC[C@@H](Nc2ncc(Cl)c(C3C(=O)Nc4ccccc43)n2)C1.Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(C4C(=O)Nc5ccccc54)n3)C2)nc1.Nc1ccc(C(=O)O)nc1.

What is the InChIKey of 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid?

The InChIKey is LDOPUIYCQLRCQS-CJIYEEDISA-N. The full InChI is InChI=1S/C24H24ClN7O2.C18H20ClN5O.C6H6N2O2/c25-17-12-28-24(32-21(17)20-16-6-1-2-7-18(16)31-23(20)34)30-15-5-3-4-14(10-15)29-22(33)19-9-8-13(26)11-27-19;19-13-9-21-18(22-11-5-3-4-10(20)8-11)24-16(13)15-12-6-1-2-7-14(12)23-17(15)25;7-4-1-2-5(6(9)10)8-3-4/h1-2,6-9,11-12,14-15,20H,3-5,10,26H2,(H,29,33)(H,31,34)(H,28,30,32);1-2,6-7,9-11,15H,3-5,8,20H2,(H,23,25)(H,21,22,24);1-3H,7H2,(H,9,10)/t14-,15+,20?;10-,11+,15?;/m00./s1.

What are the key properties of 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid?

5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid has a molecular weight of 973.93 g/mol, XLogP of 6.60, 9 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[(1S,3R)-3-[[5-chloro-4-(2-oxo-1,3-dihydroindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]pyridine-2-carboxamide;3-[2-[[(1R,3S)-3-aminocyclohexyl]amino]-5-chloropyrimidin-4-yl]-1,3-dihydroindol-2-one;5-aminopyridine-2-carboxylic acid is sourced from PubChem (CID 159319531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).