6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine

C27H34F2N6 — CID 146479388

IUPAC6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine
SMILESC[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCC3CN(CCCF)C3)cn2)N1CC1(F)CC1
InChIInChI=1S/C27H34F2N6/c1-18-11-22-21(4-6-24-23(22)14-32-33-24)26(35(18)17-27(29)7-8-27)25-5-3-20(13-31-25)30-12-19-15-34(16-19)10-2-9-28/h3-6,13-14,18-19,26,30H,2,7-12,15-17H2,1H3,(H,32,33)/t18-,26+/m1/s1
InChIKeyJKNPYWUWQRFLAJ-DWXRJYCRSA-N
MW480.61 g/mol
LogP4.50
Rot. Bonds9

About 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine

6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine (PubChem CID 146479388) has the molecular formula C27H34F2N6 and a molecular weight of 480.61 g/mol. Its IUPAC name is 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine
PubChem CID146479388
Molecular FormulaC27H34F2N6
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine
SMILESC[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCC3CN(CCCF)C3)cn2)N1CC1(F)CC1
InChIInChI=1S/C27H34F2N6/c1-18-11-22-21(4-6-24-23(22)14-32-33-24)26(35(18)17-27(29)7-8-27)25-5-3-20(13-31-25)30-12-19-15-34(16-19)10-2-9-28/h3-6,13-14,18-19,26,30H,2,7-12,15-17H2,1H3,(H,32,33)/t18-,26+/m1/s1
InChIKeyJKNPYWUWQRFLAJ-DWXRJYCRSA-N
XLogP4.50
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine (CID 146479388) is 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine is C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NCC3CN(CCCF)C3)cn2)N1CC1(F)CC1.
What is the InChIKey of 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine?
The InChIKey is JKNPYWUWQRFLAJ-DWXRJYCRSA-N. The full InChI is InChI=1S/C27H34F2N6/c1-18-11-22-21(4-6-24-23(22)14-32-33-24)26(35(18)17-27(29)7-8-27)25-5-3-20(13-31-25)30-12-19-15-34(16-19)10-2-9-28/h3-6,13-14,18-19,26,30H,2,7-12,15-17H2,1H3,(H,32,33)/t18-,26+/m1/s1.
What are the key properties of 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine?
6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine has a molecular weight of 480.61 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 146479388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).