2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen

C26H33F2N7O — CID 142557222

About 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen

2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 142557222) has the molecular formula C26H33F2N7O and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
• PubChem CID: 142557222
• Molecular Formula: C26H33F2N7O
• Molecular Weight: 497.59 g/mol
• Exact Mass: 497.27
• IUPAC Name: 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
• SMILES: CC(C)NC(=O)c1cnc(Nc2cc(F)c3c(c2)CCN(C)C3)nc1Nc1cccc(C(C)(C)F)n1.[H][H]
• InChI: InChI=1S/C26H31F2N7O.H2/c1-15(2)30-24(36)18-13-29-25(31-17-11-16-9-10-35(5)14-19(16)20(27)12-17)34-23(18)33-22-8-6-7-21(32-22)26(3,4)28;/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,30,36)(H2,29,31,32,33,34);1H
• InChIKey: DITRHWOYYPSLDE-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 95.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.59
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?

The IUPAC name of 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen (CID 142557222) is 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?

The canonical SMILES for 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen is CC(C)NC(=O)c1cnc(Nc2cc(F)c3c(c2)CCN(C)C3)nc1Nc1cccc(C(C)(C)F)n1.[H][H].

What is the InChIKey of 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?

The InChIKey is DITRHWOYYPSLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N7O.H2/c1-15(2)30-24(36)18-13-29-25(31-17-11-16-9-10-35(5)14-19(16)20(27)12-17)34-23(18)33-22-8-6-7-21(32-22)26(3,4)28;/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,30,36)(H2,29,31,32,33,34);1H.

What are the key properties of 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?

2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 497.59 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 142557222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).