(6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen

C23H27F2N7O — CID 153331576

IUPAC(6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen
SMILESCCCC(F)(F)c1ccc2ncc(-c3ccnc(N4CC(C)O[C@H](c5cn[nH]c5)C4)n3)n2c1.[H][H]
InChIInChI=1S/C23H25F2N7O.H2/c1-3-7-23(24,25)17-4-5-21-27-11-19(32(21)13-17)18-6-8-26-22(30-18)31-12-15(2)33-20(14-31)16-9-28-29-10-16;/h4-6,8-11,13,15,20H,3,7,12,14H2,1-2H3,(H,28,29);1H/t15?,20-;/m0./s1
InChIKeyHNSCHIDGGWWOTQ-NAEAKBEESA-N
MW455.51 g/mol
LogP4.62
Rot. Bonds6

About (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen

(6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen (PubChem CID 153331576) has the molecular formula C23H27F2N7O and a molecular weight of 455.51 g/mol. Its IUPAC name is (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen.

Molecular Properties

Compound Name(6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen
PubChem CID153331576
Molecular FormulaC23H27F2N7O
Molecular Weight455.51 g/mol
Exact Mass455.22
IUPAC Name(6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen
SMILESCCCC(F)(F)c1ccc2ncc(-c3ccnc(N4CC(C)O[C@H](c5cn[nH]c5)C4)n3)n2c1.[H][H]
InChIInChI=1S/C23H25F2N7O.H2/c1-3-7-23(24,25)17-4-5-21-27-11-19(32(21)13-17)18-6-8-26-22(30-18)31-12-15(2)33-20(14-31)16-9-28-29-10-16;/h4-6,8-11,13,15,20H,3,7,12,14H2,1-2H3,(H,28,29);1H/t15?,20-;/m0./s1
InChIKeyHNSCHIDGGWWOTQ-NAEAKBEESA-N
XLogP4.62
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen with MolForge

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Related Compounds

N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1-(Propan-2-Yl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278566
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278567
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
US9266891, III-19
CID 90161075
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720891
US10513523, Example 10
CID 122655975
N-[4-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 156011601
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 24857738
N-piperidin-4-yl-6-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448970
3-methyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887522
3-ethyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46887568

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen?
The IUPAC name of (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen (CID 153331576) is (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen.
What is the SMILES notation for (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen?
The canonical SMILES for (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen is CCCC(F)(F)c1ccc2ncc(-c3ccnc(N4CC(C)O[C@H](c5cn[nH]c5)C4)n3)n2c1.[H][H].
What is the InChIKey of (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen?
The InChIKey is HNSCHIDGGWWOTQ-NAEAKBEESA-N. The full InChI is InChI=1S/C23H25F2N7O.H2/c1-3-7-23(24,25)17-4-5-21-27-11-19(32(21)13-17)18-6-8-26-22(30-18)31-12-15(2)33-20(14-31)16-9-28-29-10-16;/h4-6,8-11,13,15,20H,3,7,12,14H2,1-2H3,(H,28,29);1H/t15?,20-;/m0./s1.
What are the key properties of (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen?
(6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen has a molecular weight of 455.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[4-[6-(1,1-difluorobutyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;molecular hydrogen is sourced from PubChem (CID 153331576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).