[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone

C22H28F3N7O4 — CID 126482947

IUPAC[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCOC1=C(C(F)(F)F)CN(N2CCc3ncnc(OC4CCN(C(=O)N5CCOCC5)C4)c3C2)C=N1
InChIInChI=1S/C22H28F3N7O4/c1-34-20-17(22(23,24)25)12-32(14-28-20)31-5-3-18-16(11-31)19(27-13-26-18)36-15-2-4-30(10-15)21(33)29-6-8-35-9-7-29/h13-15H,2-12H2,1H3
InChIKeyPMUXRFXRIADJPJ-UHFFFAOYSA-N
MW511.51 g/mol
LogP1.42
Rot. Bonds4

About [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone

[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 126482947) has the molecular formula C22H28F3N7O4 and a molecular weight of 511.51 g/mol. Its IUPAC name is [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID126482947
Molecular FormulaC22H28F3N7O4
Molecular Weight511.51 g/mol
Exact Mass511.22
IUPAC Name[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCOC1=C(C(F)(F)F)CN(N2CCc3ncnc(OC4CCN(C(=O)N5CCOCC5)C4)c3C2)C=N1
InChIInChI=1S/C22H28F3N7O4/c1-34-20-17(22(23,24)25)12-32(14-28-20)31-5-3-18-16(11-31)19(27-13-26-18)36-15-2-4-30(10-15)21(33)29-6-8-35-9-7-29/h13-15H,2-12H2,1H3
InChIKeyPMUXRFXRIADJPJ-UHFFFAOYSA-N
XLogP1.42
TPSA95.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
[3-[[6-[4-methoxy-5-(trifluoromethyl)-2H-pyrimidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 126482946
[3-[[6-[4-methoxy-5-(trifluoromethyl)-2H-pyrimidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 126483039
[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 126483040
[3-[[6-[4-amino-5-(trifluoromethyl)-2H-pyrimidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 126483257
[3-[[6-[6-amino-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 126483259
[3-[[6-[2-methoxy-3-(trifluoromethyl)-3H-azepin-6-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]azetidin-1-yl]-(oxan-4-yl)methanone
CID 145592792
6-(2,2-difluoroethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576523
6-(difluoromethyl)-2-fluoro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576564
4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 136540536
Morpholin-4-yl-(4-propan-2-yloxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
CID 97516616
(S)-3-(5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 57495303

Frequently Asked Questions

What is the IUPAC name of [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 126482947) is [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone is COC1=C(C(F)(F)F)CN(N2CCc3ncnc(OC4CCN(C(=O)N5CCOCC5)C4)c3C2)C=N1.
What is the InChIKey of [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is PMUXRFXRIADJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N7O4/c1-34-20-17(22(23,24)25)12-32(14-28-20)31-5-3-18-16(11-31)19(27-13-26-18)36-15-2-4-30(10-15)21(33)29-6-8-35-9-7-29/h13-15H,2-12H2,1H3.
What are the key properties of [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone?
[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 511.51 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126482947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).