1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide

C24H27FN8O3S — CID 139367425

IUPAC1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCC(C(=O)NS(C)(=O)=O)CC2)cc(F)n1
InChIInChI=1S/C24H27FN8O3S/c1-15-18-14-28-23(22-26-7-3-8-27-22)29-19(18)6-11-33(15)21-13-17(12-20(25)30-21)32-9-4-16(5-10-32)24(34)31-37(2,35)36/h3,7-8,12-16H,4-6,9-11H2,1-2H3,(H,31,34)
InChIKeyUXISNPYLAZASSU-UHFFFAOYSA-N
MW526.60 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide

1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide (PubChem CID 139367425) has the molecular formula C24H27FN8O3S and a molecular weight of 526.60 g/mol. Its IUPAC name is 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide
PubChem CID139367425
Molecular FormulaC24H27FN8O3S
Molecular Weight526.60 g/mol
Exact Mass526.19
IUPAC Name1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCC(C(=O)NS(C)(=O)=O)CC2)cc(F)n1
InChIInChI=1S/C24H27FN8O3S/c1-15-18-14-28-23(22-26-7-3-8-27-22)29-19(18)6-11-33(15)21-13-17(12-20(25)30-21)32-9-4-16(5-10-32)24(34)31-37(2,35)36/h3,7-8,12-16H,4-6,9-11H2,1-2H3,(H,31,34)
InChIKeyUXISNPYLAZASSU-UHFFFAOYSA-N
XLogP1.88
TPSA134.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide (CID 139367425) is 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCC(C(=O)NS(C)(=O)=O)CC2)cc(F)n1.
What is the InChIKey of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is UXISNPYLAZASSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O3S/c1-15-18-14-28-23(22-26-7-3-8-27-22)29-19(18)6-11-33(15)21-13-17(12-20(25)30-21)32-9-4-16(5-10-32)24(34)31-37(2,35)36/h3,7-8,12-16H,4-6,9-11H2,1-2H3,(H,31,34).
What are the key properties of 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide?
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-N-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 139367425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).