5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine

C26H32F2N6OS — CID 121373370

IUPAC5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CCC3)s1
InChIInChI=1S/C26H32F2N6OS/c1-32(2)26-30-15-23(36-26)18-12-16-4-3-9-33(22(16)13-19(18)24(27)28)25-20-14-29-8-5-21(20)34(31-25)17-6-10-35-11-7-17/h12-13,15,17,24,29H,3-11,14H2,1-2H3
InChIKeyNKTYUTXQGCQZDL-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.09
Rot. Bonds5

About 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 121373370) has the molecular formula C26H32F2N6OS and a molecular weight of 514.65 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID121373370
Molecular FormulaC26H32F2N6OS
Molecular Weight514.65 g/mol
Exact Mass514.23
IUPAC Name5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CCC3)s1
InChIInChI=1S/C26H32F2N6OS/c1-32(2)26-30-15-23(36-26)18-12-16-4-3-9-33(22(16)13-19(18)24(27)28)25-20-14-29-8-5-21(20)34(31-25)17-6-10-35-11-7-17/h12-13,15,17,24,29H,3-11,14H2,1-2H3
InChIKeyNKTYUTXQGCQZDL-UHFFFAOYSA-N
XLogP5.09
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 121373370) is 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1ncc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CCC3)s1.
What is the InChIKey of 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NKTYUTXQGCQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6OS/c1-32(2)26-30-15-23(36-26)18-12-16-4-3-9-33(22(16)13-19(18)24(27)28)25-20-14-29-8-5-21(20)34(31-25)17-6-10-35-11-7-17/h12-13,15,17,24,29H,3-11,14H2,1-2H3.
What are the key properties of 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 514.65 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 121373370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).