1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole

C18H19ClFN5 — CID 135273786

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole
SMILESCc1nc(Cl)cc(-n2ncc3cc(C)c(C4CCNCC4F)cc32)n1
InChIInChI=1S/C18H19ClFN5/c1-10-5-12-8-22-25(18-7-17(19)23-11(2)24-18)16(12)6-14(10)13-3-4-21-9-15(13)20/h5-8,13,15,21H,3-4,9H2,1-2H3
InChIKeyHECMWOSULBLQSX-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.50
Rot. Bonds2

About 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole

1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole (PubChem CID 135273786) has the molecular formula C18H19ClFN5 and a molecular weight of 359.84 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole
PubChem CID135273786
Molecular FormulaC18H19ClFN5
Molecular Weight359.84 g/mol
Exact Mass359.13
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole
SMILESCc1nc(Cl)cc(-n2ncc3cc(C)c(C4CCNCC4F)cc32)n1
InChIInChI=1S/C18H19ClFN5/c1-10-5-12-8-22-25(18-7-17(19)23-11(2)24-18)16(12)6-14(10)13-3-4-21-9-15(13)20/h5-8,13,15,21H,3-4,9H2,1-2H3
InChIKeyHECMWOSULBLQSX-UHFFFAOYSA-N
XLogP3.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-2-methylpyrimidin-4-yl)-6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylindazole
CID 142404853
4-[6-[6-[(3R,4S)-3-fluoropiperidin-4-yl]-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 126485766
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
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
6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole
CID 135262520
6-(3-fluorooxan-4-yl)-5-methyl-1-[2-methyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]indazole
CID 163525707
4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
CID 145234277
(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
[(2S)-4-[6-[6-(3-fluorooxan-4-yl)-5-methylindazol-1-yl]-2-methylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 126485740
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
5-[6-(5-chloro-6-piperidin-4-ylindazol-1-yl)-2-methylpyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 135273487

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole (CID 135273786) is 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole is Cc1nc(Cl)cc(-n2ncc3cc(C)c(C4CCNCC4F)cc32)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole?
The InChIKey is HECMWOSULBLQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5/c1-10-5-12-8-22-25(18-7-17(19)23-11(2)24-18)16(12)6-14(10)13-3-4-21-9-15(13)20/h5-8,13,15,21H,3-4,9H2,1-2H3.
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole?
1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole has a molecular weight of 359.84 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole is sourced from PubChem (CID 135273786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).