N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide

C33H32F3N5O5S — CID 134416753

IUPACN-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc2nc(N3C4CC(NCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC3C4)ccc2c1
InChIInChI=1S/C33H32F3N5O5S/c34-33(35,36)45-28-4-2-1-3-25(28)30-26(31(46-39-30)18-5-6-18)17-37-21-14-22-16-23(15-21)41(22)29-12-8-19-13-20(7-11-27(19)38-29)32(42)40-47(43,44)24-9-10-24/h1-4,7-8,11-13,18,21-24,37H,5-6,9-10,14-17H2,(H,40,42)
InChIKeyOGKBBDFJKRUWGU-UHFFFAOYSA-N
MW667.71 g/mol
LogP5.79
Rot. Bonds10

About N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide

N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide (PubChem CID 134416753) has the molecular formula C33H32F3N5O5S and a molecular weight of 667.71 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide
PubChem CID134416753
Molecular FormulaC33H32F3N5O5S
Molecular Weight667.71 g/mol
Exact Mass667.21
IUPAC NameN-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc2nc(N3C4CC(NCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC3C4)ccc2c1
InChIInChI=1S/C33H32F3N5O5S/c34-33(35,36)45-28-4-2-1-3-25(28)30-26(31(46-39-30)18-5-6-18)17-37-21-14-22-16-23(15-21)41(22)29-12-8-19-13-20(7-11-27(19)38-29)32(42)40-47(43,44)24-9-10-24/h1-4,7-8,11-13,18,21-24,37H,5-6,9-10,14-17H2,(H,40,42)
InChIKeyOGKBBDFJKRUWGU-UHFFFAOYSA-N
XLogP5.79
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.71
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]-N-(1-methylcyclopropyl)sulfonyl-1,3-benzothiazole-6-carboxamide
CID 134416957
2-[(1S,5R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]quinoline-6-carboxylic acid
CID 140625222
N-[4-(cyclopropylsulfonylcarbamoyl)phenyl]-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 134480443
2-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]piperidin-1-yl]-N-(1-methylcyclopropyl)sulfonyl-1,3-benzothiazole-6-carboxamide
CID 134415255
(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
CID 155284531
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]-1,3-benzoxazole-6-carboxylic acid
CID 134416586
2-[[6-[(5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonyl]amino]ethanesulfonic acid
CID 118422148
(1R,5S)-8-azido-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]bicyclo[3.2.1]octan-3-amine
CID 155284469
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methylamino]-8-azabicyclo[3.2.1]octan-8-yl]-1,3-benzoxazole-6-carboxylic acid
CID 134411342
3-[[6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]amino]-3-oxopropane-1-sulfonic acid
CID 141489472
6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-2-carboxylic acid
CID 171356098
6-[(6R)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
CID 138485732

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide (CID 134416753) is N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide is O=C(NS(=O)(=O)C1CC1)c1ccc2nc(N3C4CC(NCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC3C4)ccc2c1.
What is the InChIKey of N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide?
The InChIKey is OGKBBDFJKRUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N5O5S/c34-33(35,36)45-28-4-2-1-3-25(28)30-26(31(46-39-30)18-5-6-18)17-37-21-14-22-16-23(15-21)41(22)29-12-8-19-13-20(7-11-27(19)38-29)32(42)40-47(43,44)24-9-10-24/h1-4,7-8,11-13,18,21-24,37H,5-6,9-10,14-17H2,(H,40,42).
What are the key properties of N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide?
N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide has a molecular weight of 667.71 g/mol, XLogP of 5.79, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide is sourced from PubChem (CID 134416753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).