N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide

C30H32F2N4O — CID 10207325

IUPACN-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(c1ccc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)nn1)C1CCCC1
InChIInChI=1S/C30H32F2N4O/c1-30(2,3)29(37)36(21-7-4-5-8-21)27-18-17-25(34-35-27)20-13-11-19(12-14-20)24-15-16-26(33-24)28-22(31)9-6-10-23(28)32/h6,9-14,17-18,21,24H,4-5,7-8,15-16H2,1-3H3
InChIKeyDOBRZZCUGLDUFV-UHFFFAOYSA-N
MW502.61 g/mol
LogP7.07
Rot. Bonds5

About N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide

N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 10207325) has the molecular formula C30H32F2N4O and a molecular weight of 502.61 g/mol. Its IUPAC name is N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID10207325
Molecular FormulaC30H32F2N4O
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC NameN-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(c1ccc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)nn1)C1CCCC1
InChIInChI=1S/C30H32F2N4O/c1-30(2,3)29(37)36(21-7-4-5-8-21)27-18-17-25(34-35-27)20-13-11-19(12-14-20)24-15-16-26(33-24)28-22(31)9-6-10-23(28)32/h6,9-14,17-18,21,24H,4-5,7-8,15-16H2,1-3H3
InChIKeyDOBRZZCUGLDUFV-UHFFFAOYSA-N
XLogP7.07
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide (CID 10207325) is N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(c1ccc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)nn1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is DOBRZZCUGLDUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O/c1-30(2,3)29(37)36(21-7-4-5-8-21)27-18-17-25(34-35-27)20-13-11-19(12-14-20)24-15-16-26(33-24)28-22(31)9-6-10-23(28)32/h6,9-14,17-18,21,24H,4-5,7-8,15-16H2,1-3H3.
What are the key properties of N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide?
N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 502.61 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[6-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10207325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).