cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone

C37H42F2N6O2 — CID 123885288

IUPACcyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOC(CC(C)C)C2)ncc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C37H42F2N6O2/c1-22(2)16-27-21-45(14-15-47-27)33-19-31(28(20-41-33)24-9-12-44(13-10-24)37(46)25-7-8-25)42-36-23(3)35(30-6-4-5-11-40-30)43-32-18-26(38)17-29(39)34(32)36/h4-6,11,17-20,22,24-25,27H,7-10,12-16,21H2,1-3H3,(H,41,42,43)
InChIKeySTBFMDHELWRDCH-UHFFFAOYSA-N
MW640.78 g/mol
LogP7.39
Rot. Bonds8

About cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone

cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 123885288) has the molecular formula C37H42F2N6O2 and a molecular weight of 640.78 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone
PubChem CID123885288
Molecular FormulaC37H42F2N6O2
Molecular Weight640.78 g/mol
Exact Mass640.33
IUPAC Namecyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOC(CC(C)C)C2)ncc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C37H42F2N6O2/c1-22(2)16-27-21-45(14-15-47-27)33-19-31(28(20-41-33)24-9-12-44(13-10-24)37(46)25-7-8-25)42-36-23(3)35(30-6-4-5-11-40-30)43-32-18-26(38)17-29(39)34(32)36/h4-6,11,17-20,22,24-25,27H,7-10,12-16,21H2,1-3H3,(H,41,42,43)
InChIKeySTBFMDHELWRDCH-UHFFFAOYSA-N
XLogP7.39
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.78
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 44587934
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylicAcidEthylamide
CID 46900386
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Isopropylamide
CID 46900387
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Isobutylamide
CID 46900388
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Hydroxyethyl)amide
CID 46901053
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507892
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-fluoro-2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873315
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylquinazolin-4-yl)pyrazine-2-carboxamide
CID 118873349

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone (CID 123885288) is cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOC(CC(C)C)C2)ncc1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is STBFMDHELWRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F2N6O2/c1-22(2)16-27-21-45(14-15-47-27)33-19-31(28(20-41-33)24-9-12-44(13-10-24)37(46)25-7-8-25)42-36-23(3)35(30-6-4-5-11-40-30)43-32-18-26(38)17-29(39)34(32)36/h4-6,11,17-20,22,24-25,27H,7-10,12-16,21H2,1-3H3,(H,41,42,43).
What are the key properties of cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 640.78 g/mol, XLogP of 7.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123885288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).