1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline

C20H26FN3O — CID 175697853

IUPAC1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline
SMILESCC1Cc2c(ccc3c2c(CC2(F)CC2)nn3C2CCCCO2)CN1
InChIInChI=1S/C20H26FN3O/c1-13-10-15-14(12-22-13)5-6-17-19(15)16(11-20(21)7-8-20)23-24(17)18-4-2-3-9-25-18/h5-6,13,18,22H,2-4,7-12H2,1H3
InChIKeyTZIRHGCQIOEXNC-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.81
Rot. Bonds3

About 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline

1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline (PubChem CID 175697853) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline
PubChem CID175697853
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline
SMILESCC1Cc2c(ccc3c2c(CC2(F)CC2)nn3C2CCCCO2)CN1
InChIInChI=1S/C20H26FN3O/c1-13-10-15-14(12-22-13)5-6-17-19(15)16(11-20(21)7-8-20)23-24(17)18-4-2-3-9-25-18/h5-6,13,18,22H,2-4,7-12H2,1H3
InChIKeyTZIRHGCQIOEXNC-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline with MolForge

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Related Compounds

ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
3,5-dibromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228843
4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole
CID 176885586
4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
CID 169101675
1-fluoro-3-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(2,2,2-trifluoroethyl)-9,10-dihydro-8H-cyclohepta[e]indazole
CID 169008744
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
CID 166722465
3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
CID 169101637
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
CID 170648947
3-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline (CID 175697853) is 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline is CC1Cc2c(ccc3c2c(CC2(F)CC2)nn3C2CCCCO2)CN1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline?
The InChIKey is TZIRHGCQIOEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-13-10-15-14(12-22-13)5-6-17-19(15)16(11-20(21)7-8-20)23-24(17)18-4-2-3-9-25-18/h5-6,13,18,22H,2-4,7-12H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline?
1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline has a molecular weight of 343.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-8-methyl-3-(oxan-2-yl)-6,7,8,9-tetrahydropyrazolo[4,3-f]isoquinoline is sourced from PubChem (CID 175697853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).