2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C22H23FN6O2 — CID 71461213

IUPAC2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(F)nc3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H23FN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30)
InChIKeyKIQDDFFXOLUCOY-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.76
Rot. Bonds4

About 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71461213) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71461213
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(F)nc3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H23FN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30)
InChIKeyKIQDDFFXOLUCOY-UHFFFAOYSA-N
XLogP3.76
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49821911
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71450433
N-(2,6-difluorophenyl)-4-(4-(6-(dimethylamino)pyrido[3,4-d]pyrimidin-4-ylamino)-2-methylphenoxy)piperidine-1-carboxamide
CID 11203411
N-(2,6-difluorophenyl)-4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidine-1-carboxamide
CID 11365185
4-(6-amino-5-((ethoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 12004374
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-(cyclopentyloxy)pyridin-3-yl)piperazine-1-carboxamide
CID 12004396
N-(2,6-difluorophenyl)-4-(2-methyl-4-(6-(methylamino)pyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidine-1-carboxamide
CID 44426283
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 44433462
4-(2-methoxyethoxy)-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822075
N-(3-ethylphenyl)-4-(1-methylpiperidin-4-yl)oxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822155
N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53232478

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71461213) is 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(F)nc3)nc(OC(C)C)c2C1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is KIQDDFFXOLUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30).
What are the key properties of 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71461213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).