4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine

C16H17ClF3N5OS — CID 24913446

IUPAC4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1sc(N3CCOCC3)nc1Cl)C2
InChIInChI=1S/C16H17ClF3N5OS/c17-13-12(27-15(23-13)25-3-5-26-6-4-25)9-24-2-1-11-10(8-24)7-21-14(22-11)16(18,19)20/h7H,1-6,8-9H2
InChIKeyRYAPZMRVCOPQIP-UHFFFAOYSA-N
MW419.86 g/mol
LogP3.00
Rot. Bonds3

About 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 24913446) has the molecular formula C16H17ClF3N5OS and a molecular weight of 419.86 g/mol. Its IUPAC name is 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID24913446
Molecular FormulaC16H17ClF3N5OS
Molecular Weight419.86 g/mol
Exact Mass419.08
IUPAC Name4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1sc(N3CCOCC3)nc1Cl)C2
InChIInChI=1S/C16H17ClF3N5OS/c17-13-12(27-15(23-13)25-3-5-26-6-4-25)9-24-2-1-11-10(8-24)7-21-14(22-11)16(18,19)20/h7H,1-6,8-9H2
InChIKeyRYAPZMRVCOPQIP-UHFFFAOYSA-N
XLogP3.00
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 24913446) is 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine is FC(F)(F)c1ncc2c(n1)CCN(Cc1sc(N3CCOCC3)nc1Cl)C2.
What is the InChIKey of 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is RYAPZMRVCOPQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N5OS/c17-13-12(27-15(23-13)25-3-5-26-6-4-25)9-24-2-1-11-10(8-24)7-21-14(22-11)16(18,19)20/h7H,1-6,8-9H2.
What are the key properties of 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 419.86 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 24913446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).