7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline

C26H30F2N4OS — CID 121365496

IUPAC7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(-c2cc3c(cc2C(F)F)NC(c2n[nH]c4c2C(C2CCOCC2)NCC4)CC3)s1
InChIInChI=1S/C26H30F2N4OS/c1-14-2-5-22(34-14)17-12-16-3-4-20(30-21(16)13-18(17)26(27)28)25-23-19(31-32-25)6-9-29-24(23)15-7-10-33-11-8-15/h2,5,12-13,15,20,24,26,29-30H,3-4,6-11H2,1H3,(H,31,32)
InChIKeyMGHRMBIBMADVGJ-UHFFFAOYSA-N
MW484.62 g/mol
LogP6.10
Rot. Bonds4

About 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline

7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 121365496) has the molecular formula C26H30F2N4OS and a molecular weight of 484.62 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID121365496
Molecular FormulaC26H30F2N4OS
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(-c2cc3c(cc2C(F)F)NC(c2n[nH]c4c2C(C2CCOCC2)NCC4)CC3)s1
InChIInChI=1S/C26H30F2N4OS/c1-14-2-5-22(34-14)17-12-16-3-4-20(30-21(16)13-18(17)26(27)28)25-23-19(31-32-25)6-9-29-24(23)15-7-10-33-11-8-15/h2,5,12-13,15,20,24,26,29-30H,3-4,6-11H2,1H3,(H,31,32)
InChIKeyMGHRMBIBMADVGJ-UHFFFAOYSA-N
XLogP6.10
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

7-(difluoromethyl)-6-(5-methyl-2-thienyl)-1-(1-tetrahydropyran-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline
CID 121373180
3-[7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-amine
CID 121373368

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline (CID 121365496) is 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline is Cc1ccc(-c2cc3c(cc2C(F)F)NC(c2n[nH]c4c2C(C2CCOCC2)NCC4)CC3)s1.
What is the InChIKey of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is MGHRMBIBMADVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4OS/c1-14-2-5-22(34-14)17-12-16-3-4-20(30-21(16)13-18(17)26(27)28)25-23-19(31-32-25)6-9-29-24(23)15-7-10-33-11-8-15/h2,5,12-13,15,20,24,26,29-30H,3-4,6-11H2,1H3,(H,31,32).
What are the key properties of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline?
7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 484.62 g/mol, XLogP of 6.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-2-[4-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 121365496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).