5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one

C23H25F3N6O4 — CID 56653620

IUPAC5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCC(=O)N5)C4)c3C2)cc1C(F)(F)F
InChIInChI=1S/C23H25F3N6O4/c1-35-21-16(23(24,25)26)8-13(9-27-21)31-7-5-17-15(11-31)20(29-12-28-17)36-14-4-6-32(10-14)22(34)18-2-3-19(33)30-18/h8-9,12,14,18H,2-7,10-11H2,1H3,(H,30,33)/t14-,18?/m0/s1
InChIKeySVWYJBFOACEUAP-PIVQAISJSA-N
MW506.49 g/mol
LogP1.72
Rot. Bonds5

About 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one

5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 56653620) has the molecular formula C23H25F3N6O4 and a molecular weight of 506.49 g/mol. Its IUPAC name is 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID56653620
Molecular FormulaC23H25F3N6O4
Molecular Weight506.49 g/mol
Exact Mass506.19
IUPAC Name5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCC(=O)N5)C4)c3C2)cc1C(F)(F)F
InChIInChI=1S/C23H25F3N6O4/c1-35-21-16(23(24,25)26)8-13(9-27-21)31-7-5-17-15(11-31)20(29-12-28-17)36-14-4-6-32(10-14)22(34)18-2-3-19(33)30-18/h8-9,12,14,18H,2-7,10-11H2,1H3,(H,30,33)/t14-,18?/m0/s1
InChIKeySVWYJBFOACEUAP-PIVQAISJSA-N
XLogP1.72
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 56653620) is 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one is COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCC(=O)N5)C4)c3C2)cc1C(F)(F)F.
What is the InChIKey of 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SVWYJBFOACEUAP-PIVQAISJSA-N. The full InChI is InChI=1S/C23H25F3N6O4/c1-35-21-16(23(24,25)26)8-13(9-27-21)31-7-5-17-15(11-31)20(29-12-28-17)36-14-4-6-32(10-14)22(34)18-2-3-19(33)30-18/h8-9,12,14,18H,2-7,10-11H2,1H3,(H,30,33)/t14-,18?/m0/s1.
What are the key properties of 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one?
5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 506.49 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 56653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).