1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide

C49H49F2N13O3 — CID 118240202

IUPAC1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
SMILESCOc1nc2c(C(N)=O)cccc2n1-c1nc(NCc2cccc(F)c2)c2c(n1)N(C)CCC2.Cc1cc2c(C(N)=O)cccc2n1-c1nc(NCc2cccc(F)c2)c2c(n1)N(C)CCC2
InChIInChI=1S/C25H25FN6O.C24H24FN7O2/c1-15-12-20-18(22(27)33)8-4-10-21(20)32(15)25-29-23(19-9-5-11-31(2)24(19)30-25)28-14-16-6-3-7-17(26)13-16;1-31-11-5-9-17-21(27-13-14-6-3-7-15(25)12-14)29-23(30-22(17)31)32-18-10-4-8-16(20(26)33)19(18)28-24(32)34-2/h3-4,6-8,10,12-13H,5,9,11,14H2,1-2H3,(H2,27,33)(H,28,29,30);3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H2,26,33)(H,27,29,30)
InChIKeyBQMOPUKPIHKHBE-UHFFFAOYSA-N
MW906.02 g/mol
LogP7.02
Rot. Bonds11

About 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide

1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide (PubChem CID 118240202) has the molecular formula C49H49F2N13O3 and a molecular weight of 906.02 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
PubChem CID118240202
Molecular FormulaC49H49F2N13O3
Molecular Weight906.02 g/mol
Exact Mass905.40
IUPAC Name1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
SMILESCOc1nc2c(C(N)=O)cccc2n1-c1nc(NCc2cccc(F)c2)c2c(n1)N(C)CCC2.Cc1cc2c(C(N)=O)cccc2n1-c1nc(NCc2cccc(F)c2)c2c(n1)N(C)CCC2
InChIInChI=1S/C25H25FN6O.C24H24FN7O2/c1-15-12-20-18(22(27)33)8-4-10-21(20)32(15)25-29-23(19-9-5-11-31(2)24(19)30-25)28-14-16-6-3-7-17(26)13-16;1-31-11-5-9-17-21(27-13-14-6-3-7-15(25)12-14)29-23(30-22(17)31)32-18-10-4-8-16(20(26)33)19(18)28-24(32)34-2/h3-4,6-8,10,12-13H,5,9,11,14H2,1-2H3,(H2,27,33)(H,28,29,30);3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H2,26,33)(H,27,29,30)
InChIKeyBQMOPUKPIHKHBE-UHFFFAOYSA-N
XLogP7.02
TPSA200.26 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.02
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
The IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide (CID 118240202) is 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide is COc1nc2c(C(N)=O)cccc2n1-c1nc(NCc2cccc(F)c2)c2c(n1)N(C)CCC2.Cc1cc2c(C(N)=O)cccc2n1-c1nc(NCc2cccc(F)c2)c2c(n1)N(C)CCC2.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
The InChIKey is BQMOPUKPIHKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O.C24H24FN7O2/c1-15-12-20-18(22(27)33)8-4-10-21(20)32(15)25-29-23(19-9-5-11-31(2)24(19)30-25)28-14-16-6-3-7-17(26)13-16;1-31-11-5-9-17-21(27-13-14-6-3-7-15(25)12-14)29-23(30-22(17)31)32-18-10-4-8-16(20(26)33)19(18)28-24(32)34-2/h3-4,6-8,10,12-13H,5,9,11,14H2,1-2H3,(H2,27,33)(H,28,29,30);3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H2,26,33)(H,27,29,30).
What are the key properties of 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide?
1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide has a molecular weight of 906.02 g/mol, XLogP of 7.02, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methoxybenzimidazole-4-carboxamide;1-[4-[(3-fluorophenyl)methylamino]-8-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide is sourced from PubChem (CID 118240202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).