[2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone

C26H32F3N5O2 — CID 46050666

IUPAC[2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCN(c1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2)C1CCCCC1
InChIInChI=1S/C26H32F3N5O2/c1-32(20-8-3-2-4-9-20)25-30-22-10-11-34(17-21(22)23(31-25)33-12-14-36-15-13-33)24(35)18-6-5-7-19(16-18)26(27,28)29/h5-7,16,20H,2-4,8-15,17H2,1H3
InChIKeyYSGATTGSHOYQSH-UHFFFAOYSA-N
MW503.57 g/mol
LogP4.30
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 46050666) has the molecular formula C26H32F3N5O2 and a molecular weight of 503.57 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID46050666
Molecular FormulaC26H32F3N5O2
Molecular Weight503.57 g/mol
Exact Mass503.25
IUPAC Name[2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCN(c1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2)C1CCCCC1
InChIInChI=1S/C26H32F3N5O2/c1-32(20-8-3-2-4-9-20)25-30-22-10-11-34(17-21(22)23(31-25)33-12-14-36-15-13-33)24(35)18-6-5-7-19(16-18)26(27,28)29/h5-7,16,20H,2-4,8-15,17H2,1H3
InChIKeyYSGATTGSHOYQSH-UHFFFAOYSA-N
XLogP4.30
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 46050666) is [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone is CN(c1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is YSGATTGSHOYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2/c1-32(20-8-3-2-4-9-20)25-30-22-10-11-34(17-21(22)23(31-25)33-12-14-36-15-13-33)24(35)18-6-5-7-19(16-18)26(27,28)29/h5-7,16,20H,2-4,8-15,17H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 503.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 46050666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).