(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine

C21H19ClF3N7O — CID 139344296

IUPAC(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
SMILESCc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(Cl)c(C(F)(F)F)cn34)n2)C[C@@H](C)O1
InChIInChI=1S/C21H19ClF3N7O/c1-11-8-31(10-17(33-11)13-6-28-30-12(13)2)18-3-4-26-20(29-18)16-7-27-19-5-15(22)14(9-32(16)19)21(23,24)25/h3-7,9,11,17H,8,10H2,1-2H3,(H,28,30)/t11-,17+/m1/s1
InChIKeyWGIKIXHYCVPFKR-DIFFPNOSSA-N
MW477.88 g/mol
LogP4.46
Rot. Bonds3

About (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine

(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine (PubChem CID 139344296) has the molecular formula C21H19ClF3N7O and a molecular weight of 477.88 g/mol. Its IUPAC name is (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
PubChem CID139344296
Molecular FormulaC21H19ClF3N7O
Molecular Weight477.88 g/mol
Exact Mass477.13
IUPAC Name(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
SMILESCc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(Cl)c(C(F)(F)F)cn34)n2)C[C@@H](C)O1
InChIInChI=1S/C21H19ClF3N7O/c1-11-8-31(10-17(33-11)13-6-28-30-12(13)2)18-3-4-26-20(29-18)16-7-27-19-5-15(22)14(9-32(16)19)21(23,24)25/h3-7,9,11,17H,8,10H2,1-2H3,(H,28,30)/t11-,17+/m1/s1
InChIKeyWGIKIXHYCVPFKR-DIFFPNOSSA-N
XLogP4.46
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine with MolForge

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Related Compounds

1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 102004312
4-[2-Methyl-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71138986
(3R)-3-methyl-4-[8-(6-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 155683277
US9815842, Example 65
CID 118540077
US9815842, Example 4
CID 118540087
US9815842, Example 89
CID 118540112
US9815842, Example 108
CID 118540126
US9815842, Example 114
CID 118540231
6-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56658840
(2R,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344284
(2R,6S)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344288
4-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 139344297

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The IUPAC name of (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine (CID 139344296) is (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The canonical SMILES for (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine is Cc1[nH]ncc1[C@@H]1CN(c2ccnc(-c3cnc4cc(Cl)c(C(F)(F)F)cn34)n2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
The InChIKey is WGIKIXHYCVPFKR-DIFFPNOSSA-N. The full InChI is InChI=1S/C21H19ClF3N7O/c1-11-8-31(10-17(33-11)13-6-28-30-12(13)2)18-3-4-26-20(29-18)16-7-27-19-5-15(22)14(9-32(16)19)21(23,24)25/h3-7,9,11,17H,8,10H2,1-2H3,(H,28,30)/t11-,17+/m1/s1.
What are the key properties of (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine?
(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine has a molecular weight of 477.88 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).