N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine

C26H34F2N6 — CID 134477427

IUPACN-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
SMILESCC(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cn2)c2ccc3[nH]ncc3c2CC1(C)C
InChIInChI=1S/C26H34F2N6/c1-17(28)14-34-25(20-6-8-23-22(13-30-32-23)21(20)11-26(34,2)3)24-7-5-18(12-29-24)31-19-15-33(16-19)10-4-9-27/h5-8,12-13,17,19,25,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,25-/m0/s1
InChIKeyYBMQMCCXOMGNLI-HHPDBAQJSA-N
MW468.60 g/mol
LogP4.50
Rot. Bonds8

About N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine

N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine (PubChem CID 134477427) has the molecular formula C26H34F2N6 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
PubChem CID134477427
Molecular FormulaC26H34F2N6
Molecular Weight468.60 g/mol
Exact Mass468.28
IUPAC NameN-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
SMILESCC(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cn2)c2ccc3[nH]ncc3c2CC1(C)C
InChIInChI=1S/C26H34F2N6/c1-17(28)14-34-25(20-6-8-23-22(13-30-32-23)21(20)11-26(34,2)3)24-7-5-18(12-29-24)31-19-15-33(16-19)10-4-9-27/h5-8,12-13,17,19,25,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,25-/m0/s1
InChIKeyYBMQMCCXOMGNLI-HHPDBAQJSA-N
XLogP4.50
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine?
The IUPAC name of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine (CID 134477427) is N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine.
What is the SMILES notation for N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine?
The canonical SMILES for N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine is CC(F)CN1[C@H](c2ccc(NC3CN(CCCF)C3)cn2)c2ccc3[nH]ncc3c2CC1(C)C.
What is the InChIKey of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine?
The InChIKey is YBMQMCCXOMGNLI-HHPDBAQJSA-N. The full InChI is InChI=1S/C26H34F2N6/c1-17(28)14-34-25(20-6-8-23-22(13-30-32-23)21(20)11-26(34,2)3)24-7-5-18(12-29-24)31-19-15-33(16-19)10-4-9-27/h5-8,12-13,17,19,25,31H,4,9-11,14-16H2,1-3H3,(H,30,32)/t17?,25-/m0/s1.
What are the key properties of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine?
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine has a molecular weight of 468.60 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine is sourced from PubChem (CID 134477427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).