4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine

C18H15ClFN7O — CID 139344356

IUPAC4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
SMILESFc1cc2ncc(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)n2cc1Cl
InChIInChI=1S/C18H15ClFN7O/c19-12-9-27-14(8-22-17(27)5-13(12)20)18-21-2-1-16(25-18)26-3-4-28-15(10-26)11-6-23-24-7-11/h1-2,5-9,15H,3-4,10H2,(H,23,24)
InChIKeyRTPSJRJLVLSFEG-UHFFFAOYSA-N
MW399.82 g/mol
LogP2.88
Rot. Bonds3

About 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine

4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine (PubChem CID 139344356) has the molecular formula C18H15ClFN7O and a molecular weight of 399.82 g/mol. Its IUPAC name is 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
PubChem CID139344356
Molecular FormulaC18H15ClFN7O
Molecular Weight399.82 g/mol
Exact Mass399.10
IUPAC Name4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine
SMILESFc1cc2ncc(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)n2cc1Cl
InChIInChI=1S/C18H15ClFN7O/c19-12-9-27-14(8-22-17(27)5-13(12)20)18-21-2-1-16(25-18)26-3-4-28-15(10-26)11-6-23-24-7-11/h1-2,5-9,15H,3-4,10H2,(H,23,24)
InChIKeyRTPSJRJLVLSFEG-UHFFFAOYSA-N
XLogP2.88
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 56658840
N-methyl-N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 57392242
(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
6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
CID 139344301
(2S,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 139344332
2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-yl]morpholine
CID 139344342
3-[4-[(2S,3R)-2-methyl-4-[(3-methyloxetan-3-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344349
4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-(1H-pyrazol-4-yl)morpholine
CID 139344376
(2S,6R)-4-[2-(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344392
(2R,6R)-4-[4-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine
CID 139344397

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?
The IUPAC name of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine (CID 139344356) is 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine is Fc1cc2ncc(-c3nccc(N4CCOC(c5cn[nH]c5)C4)n3)n2cc1Cl.
What is the InChIKey of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?
The InChIKey is RTPSJRJLVLSFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN7O/c19-12-9-27-14(8-22-17(27)5-13(12)20)18-21-2-1-16(25-18)26-3-4-28-15(10-26)11-6-23-24-7-11/h1-2,5-9,15H,3-4,10H2,(H,23,24).
What are the key properties of 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine?
4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine has a molecular weight of 399.82 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 139344356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).