(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine

C18H21ClN6O2S — CID 168921681

IUPAC(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2sc(-c3ccnn3C3CCCCO3)nc12
InChIInChI=1S/C18H21ClN6O2S/c1-11-10-26-9-7-24(11)15-14-17(23-18(19)22-15)28-16(21-14)12-5-6-20-25(12)13-4-2-3-8-27-13/h5-6,11,13H,2-4,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyXWVGKQQIWAORJG-AMGKYWFPSA-N
MW420.93 g/mol
LogP3.53
Rot. Bonds3

About (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine

(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine (PubChem CID 168921681) has the molecular formula C18H21ClN6O2S and a molecular weight of 420.93 g/mol. Its IUPAC name is (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
PubChem CID168921681
Molecular FormulaC18H21ClN6O2S
Molecular Weight420.93 g/mol
Exact Mass420.11
IUPAC Name(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2sc(-c3ccnn3C3CCCCO3)nc12
InChIInChI=1S/C18H21ClN6O2S/c1-11-10-26-9-7-24(11)15-14-17(23-18(19)22-15)28-16(21-14)12-5-6-20-25(12)13-4-2-3-8-27-13/h5-6,11,13H,2-4,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyXWVGKQQIWAORJG-AMGKYWFPSA-N
XLogP3.53
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.93
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine with MolForge

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Related Compounds

4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
4-[4-cyclopropyl-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869367
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822
(3R)-4-[5-fluoro-8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020263
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
3-methyl-4-[4-(3-methyl-2-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 134446600
(3R)-4-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118890738
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
(3R)-4-[5-fluoro-4-(2-methyl-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688153
3-[2-[(3R)-3-methylmorpholin-4-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-4-yl]pyridin-2-amine
CID 118869281
4-[4-(2,3-difluorophenyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446578
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine (CID 168921681) is (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine is C[C@H]1COCCN1c1nc(Cl)nc2sc(-c3ccnn3C3CCCCO3)nc12.
What is the InChIKey of (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
The InChIKey is XWVGKQQIWAORJG-AMGKYWFPSA-N. The full InChI is InChI=1S/C18H21ClN6O2S/c1-11-10-26-9-7-24(11)15-14-17(23-18(19)22-15)28-16(21-14)12-5-6-20-25(12)13-4-2-3-8-27-13/h5-6,11,13H,2-4,7-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine has a molecular weight of 420.93 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine is sourced from PubChem (CID 168921681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).