6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H23F3N6O2 — CID 57495350

IUPAC6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(c5ccccn5)C4)c3C2)cc1C(F)(F)F
InChIInChI=1S/C23H23F3N6O2/c1-33-22-18(23(24,25)26)10-15(11-28-22)31-9-6-19-17(13-31)21(30-14-29-19)34-16-5-8-32(12-16)20-4-2-3-7-27-20/h2-4,7,10-11,14,16H,5-6,8-9,12-13H2,1H3/t16-/m0/s1
InChIKeyQAOFXNLUHVVYTE-INIZCTEOSA-N
MW472.47 g/mol
LogP3.51
Rot. Bonds5

About 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 57495350) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID57495350
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(c5ccccn5)C4)c3C2)cc1C(F)(F)F
InChIInChI=1S/C23H23F3N6O2/c1-33-22-18(23(24,25)26)10-15(11-28-22)31-9-6-19-17(13-31)21(30-14-29-19)34-16-5-8-32(12-16)20-4-2-3-7-27-20/h2-4,7,10-11,14,16H,5-6,8-9,12-13H2,1H3/t16-/m0/s1
InChIKeyQAOFXNLUHVVYTE-INIZCTEOSA-N
XLogP3.51
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 57495350) is 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(c5ccccn5)C4)c3C2)cc1C(F)(F)F.
What is the InChIKey of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QAOFXNLUHVVYTE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-33-22-18(23(24,25)26)10-15(11-28-22)31-9-6-19-17(13-31)21(30-14-29-19)34-16-5-8-32(12-16)20-4-2-3-7-27-20/h2-4,7,10-11,14,16H,5-6,8-9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 472.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-4-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 57495350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).