3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C23H26F2N6O — CID 165154416

IUPAC3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(-n3cc(OC4CCC(F)(F)C4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H26F2N6O/c1-14-7-15(8-16-12-30(2)6-4-19(14)16)20-11-27-21(26)22(29-20)31-13-18(10-28-31)32-17-3-5-23(24,25)9-17/h7-8,10-11,13,17H,3-6,9,12H2,1-2H3,(H2,26,27)
InChIKeyYTTXYPFBJDYDJH-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.77
Rot. Bonds4

About 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 165154416) has the molecular formula C23H26F2N6O and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
PubChem CID165154416
Molecular FormulaC23H26F2N6O
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(-n3cc(OC4CCC(F)(F)C4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C23H26F2N6O/c1-14-7-15(8-16-12-30(2)6-4-19(14)16)20-11-27-21(26)22(29-20)31-13-18(10-28-31)32-17-3-5-23(24,25)9-17/h7-8,10-11,13,17H,3-6,9,12H2,1-2H3,(H2,26,27)
InChIKeyYTTXYPFBJDYDJH-UHFFFAOYSA-N
XLogP3.77
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine with MolForge

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Related Compounds

[4-[5-(Piperidin-4-ylmethoxy)-3-pyrazol-1-ylpyrazin-2-yl]phenyl]methanamine
CID 164623889
US20240317714, Example A64
CID 166982860
US20240317714, Example A48
CID 166982907
US20240317714, Example A51
CID 166983008
US20250289799, Example 13
CID 176244136
(4S,6S)-4-[2-fluoro-5-[1-(5-methoxypyrazin-2-yl)pyrazol-4-yl]phenyl]-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 118625853
6-[4-[1-(3-Cyclopentylbutyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-fluoropiperidin-1-yl]-5-ethoxypyrimidin-4-amine
CID 123241897
7-[2,4-bis(trifluoromethyl)phenyl]-N-[(2E,4E)-6-methoxy-5-(4-methylimidazol-1-yl)hepta-2,4,6-trien-2-yl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 126590767
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypyrazin-2-amine
CID 156101404
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-(4-fluorophenyl)azetidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
CID 156101527
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-yl]oxypyrazin-2-amine
CID 156101547
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(trifluoromethyl)pyrazol-4-yl]oxypyrazin-2-amine
CID 156101554

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The IUPAC name of 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 165154416) is 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The canonical SMILES for 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(-n3cc(OC4CCC(F)(F)C4)cn3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The InChIKey is YTTXYPFBJDYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N6O/c1-14-7-15(8-16-12-30(2)6-4-19(14)16)20-11-27-21(26)22(29-20)31-13-18(10-28-31)32-17-3-5-23(24,25)9-17/h7-8,10-11,13,17H,3-6,9,12H2,1-2H3,(H2,26,27).
What are the key properties of 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 440.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-difluorocyclopentyl)oxypyrazol-1-yl]-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 165154416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).