4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine

C22H27FN6O — CID 126485766

IUPAC4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c([C@@H]4CCNC[C@@H]4F)cc32)n1
InChIInChI=1S/C22H27FN6O/c1-14-9-16-12-25-29(20(16)10-18(14)17-3-4-24-13-19(17)23)22-11-21(26-15(2)27-22)28-5-7-30-8-6-28/h9-12,17,19,24H,3-8,13H2,1-2H3/t17-,19-/m0/s1
InChIKeyFPBAVUJXVATIEZ-HKUYNNGSSA-N
MW410.50 g/mol
LogP2.68
Rot. Bonds3

About 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine

4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 126485766) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID126485766
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c([C@@H]4CCNC[C@@H]4F)cc32)n1
InChIInChI=1S/C22H27FN6O/c1-14-9-16-12-25-29(20(16)10-18(14)17-3-4-24-13-19(17)23)22-11-21(26-15(2)27-22)28-5-7-30-8-6-28/h9-12,17,19,24H,3-8,13H2,1-2H3/t17-,19-/m0/s1
InChIKeyFPBAVUJXVATIEZ-HKUYNNGSSA-N
XLogP2.68
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine with MolForge

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Related Compounds

1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole
CID 135273786
1-(6-chloro-2-methylpyrimidin-4-yl)-6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylindazole
CID 142404853
4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
CID 145234277
5-[6-[6-(3-fluoropiperidin-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;sulfane;hydrochloride
CID 158084025
4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126486018
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
CID 163525707
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740
(2R)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126486003
(2S)-2-methyl-4-[2-methyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
CID 126485814
1-[6-[6-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276355
methane;4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-3-ol
CID 162043422
4-[2-methyl-6-[5-methyl-6-(oxan-4-yl)indazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 146441155

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine (CID 126485766) is 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c([C@@H]4CCNC[C@@H]4F)cc32)n1.
What is the InChIKey of 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is FPBAVUJXVATIEZ-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-14-9-16-12-25-29(20(16)10-18(14)17-3-4-24-13-19(17)23)22-11-21(26-15(2)27-22)28-5-7-30-8-6-28/h9-12,17,19,24H,3-8,13H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 410.50 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 126485766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).