N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C30H25F5N4O2 — CID 76771541

IUPACN-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(c1cc(F)cc(F)c1)N(CC=Cc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C30H25F5N4O2/c1-17(19-11-21(31)13-22(32)12-19)39(27(41)29(6-7-29)30(33,34)35)9-3-4-18-10-20-14-28(15-24(20)37-16-18)23-5-2-8-36-25(23)38-26(28)40/h2-5,8,10-13,16-17H,6-7,9,14-15H2,1H3,(H,36,38,40)
InChIKeyIENHCDUZUNPICI-UHFFFAOYSA-N
MW568.55 g/mol
LogP5.69
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 76771541) has the molecular formula C30H25F5N4O2 and a molecular weight of 568.55 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID76771541
Molecular FormulaC30H25F5N4O2
Molecular Weight568.55 g/mol
Exact Mass568.19
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(c1cc(F)cc(F)c1)N(CC=Cc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C30H25F5N4O2/c1-17(19-11-21(31)13-22(32)12-19)39(27(41)29(6-7-29)30(33,34)35)9-3-4-18-10-20-14-28(15-24(20)37-16-18)23-5-2-8-36-25(23)38-26(28)40/h2-5,8,10-13,16-17H,6-7,9,14-15H2,1H3,(H,36,38,40)
InChIKeyIENHCDUZUNPICI-UHFFFAOYSA-N
XLogP5.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.55
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 76771541) is N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(c1cc(F)cc(F)c1)N(CC=Cc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is IENHCDUZUNPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F5N4O2/c1-17(19-11-21(31)13-22(32)12-19)39(27(41)29(6-7-29)30(33,34)35)9-3-4-18-10-20-14-28(15-24(20)37-16-18)23-5-2-8-36-25(23)38-26(28)40/h2-5,8,10-13,16-17H,6-7,9,14-15H2,1H3,(H,36,38,40).
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 568.55 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-N-[3-(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl)prop-2-enyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76771541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).