N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide

C34H34F5N5O2 — CID 78035777

IUPACN-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
SMILESCCCc1c(C(F)(F)F)nn(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2-c2cccc(C(=O)NC3CC3)c2)c1CC
InChIInChI=1S/C34H34F5N5O2/c1-3-7-27-29(4-2)44(43-32(27)34(37,38)39)19-30(45)42-28(16-20-14-23(35)18-24(36)15-20)31-26(10-6-13-40-31)21-8-5-9-22(17-21)33(46)41-25-11-12-25/h5-6,8-10,13-15,17-18,25,28H,3-4,7,11-12,16,19H2,1-2H3,(H,41,46)(H,42,45)
InChIKeyIDQGNFBXVSDZGO-UHFFFAOYSA-N
MW639.67 g/mol
LogP6.75
Rot. Bonds12

About N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide

N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide (PubChem CID 78035777) has the molecular formula C34H34F5N5O2 and a molecular weight of 639.67 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
PubChem CID78035777
Molecular FormulaC34H34F5N5O2
Molecular Weight639.67 g/mol
Exact Mass639.26
IUPAC NameN-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
SMILESCCCc1c(C(F)(F)F)nn(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2-c2cccc(C(=O)NC3CC3)c2)c1CC
InChIInChI=1S/C34H34F5N5O2/c1-3-7-27-29(4-2)44(43-32(27)34(37,38)39)19-30(45)42-28(16-20-14-23(35)18-24(36)15-20)31-26(10-6-13-40-31)21-8-5-9-22(17-21)33(46)41-25-11-12-25/h5-6,8-10,13-15,17-18,25,28H,3-4,7,11-12,16,19H2,1-2H3,(H,41,46)(H,42,45)
InChIKeyIDQGNFBXVSDZGO-UHFFFAOYSA-N
XLogP6.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.67
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

c-Met Inhibitor D6808
CID 165437862
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CID 165430631
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
(2R,4R)-9-(2,4-difluorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720562
Csf1R-IN-1
CID 137333440
Cathepsin Inhibitor, Column 2 Row 1
CID 71463525
Cathepsin Inhibitor, Column 2 Row 2
CID 71463526
Cathepsin Inhibitor, Column 2 Row 3
CID 71463527
CID 155557232
CID 155557232
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide (CID 78035777) is N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide is CCCc1c(C(F)(F)F)nn(CC(=O)NC(Cc2cc(F)cc(F)c2)c2ncccc2-c2cccc(C(=O)NC3CC3)c2)c1CC.
What is the InChIKey of N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide?
The InChIKey is IDQGNFBXVSDZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F5N5O2/c1-3-7-27-29(4-2)44(43-32(27)34(37,38)39)19-30(45)42-28(16-20-14-23(35)18-24(36)15-20)31-26(10-6-13-40-31)21-8-5-9-22(17-21)33(46)41-25-11-12-25/h5-6,8-10,13-15,17-18,25,28H,3-4,7,11-12,16,19H2,1-2H3,(H,41,46)(H,42,45).
What are the key properties of N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide?
N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide has a molecular weight of 639.67 g/mol, XLogP of 6.75, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-1-[[2-[5-ethyl-4-propyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 78035777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).