7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C31H33F3N4O3 — CID 51355459

IUPAC7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39)
InChIKeyCFHYBQICSRKUFF-UHFFFAOYSA-N
MW566.62 g/mol
LogP6.48
Rot. Bonds9

About 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 51355459) has the molecular formula C31H33F3N4O3 and a molecular weight of 566.62 g/mol. Its IUPAC name is 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID51355459
Molecular FormulaC31H33F3N4O3
Molecular Weight566.62 g/mol
Exact Mass566.25
IUPAC Name7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1
InChIInChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39)
InChIKeyCFHYBQICSRKUFF-UHFFFAOYSA-N
XLogP6.48
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

Risimtinib
CID 145351764
Benzamide,3-(1-amino-1-methylethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-
CID 50992247
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
(2s)-N-[3-(2-Aminopropan-2-Yl)-5-(Trifluoromethyl)phenyl]-7-[(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-4-Yl)oxy]-1,2,3,4-Tetrahydronaphthalene-2-Carboxamide
CID 50937465
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
Nvp-baw2881
CID 16004702
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 24822265
Benzamide,3-[(dimethylamino)methyl]-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoroMethyl)-
CID 50990961
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-({2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51354885
(2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-({2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355181
(2R)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-({2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355182
3-[(methylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl}-5-(trifluoromethyl)benzamide
CID 51355461

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 51355459) is 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1.
What is the InChIKey of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is CFHYBQICSRKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39).
What are the key properties of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 566.62 g/mol, XLogP of 6.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 51355459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).