N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide

C30H31F2N5O4 — CID 138487828

IUPACN-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide
SMILESCc1cc(Oc2ccc(C(=O)NC(C)C(=O)N3[C@H](c4cc(F)cc(F)c4)CC[C@@H]3C(C)(C)C#N)cc2C)c(=O)[nH]n1
InChIInChI=1S/C30H31F2N5O4/c1-16-10-19(6-8-24(16)41-25-11-17(2)35-36-28(25)39)27(38)34-18(3)29(40)37-23(7-9-26(37)30(4,5)15-33)20-12-21(31)14-22(32)13-20/h6,8,10-14,18,23,26H,7,9H2,1-5H3,(H,34,38)(H,36,39)/t18?,23-,26+/m0/s1
InChIKeyFSYOEDDZFRSQJL-ONFYXREYSA-N
MW563.61 g/mol
LogP4.86
Rot. Bonds7

About N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide

N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide (PubChem CID 138487828) has the molecular formula C30H31F2N5O4 and a molecular weight of 563.61 g/mol. Its IUPAC name is N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide.

Molecular Properties

Compound NameN-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide
PubChem CID138487828
Molecular FormulaC30H31F2N5O4
Molecular Weight563.61 g/mol
Exact Mass563.23
IUPAC NameN-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide
SMILESCc1cc(Oc2ccc(C(=O)NC(C)C(=O)N3[C@H](c4cc(F)cc(F)c4)CC[C@@H]3C(C)(C)C#N)cc2C)c(=O)[nH]n1
InChIInChI=1S/C30H31F2N5O4/c1-16-10-19(6-8-24(16)41-25-11-17(2)35-36-28(25)39)27(38)34-18(3)29(40)37-23(7-9-26(37)30(4,5)15-33)20-12-21(31)14-22(32)13-20/h6,8,10-14,18,23,26H,7,9H2,1-5H3,(H,34,38)(H,36,39)/t18?,23-,26+/m0/s1
InChIKeyFSYOEDDZFRSQJL-ONFYXREYSA-N
XLogP4.86
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.61
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S,5R,8R)-5-(2-cyanopropan-2-yl)-8-(4-fluoro-2-methylphenyl)-3-oxo-2,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]-3-fluoro-5-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide
CID 142588462
US10995084, Ex. No. 2A-2
CID 156906027
US10995084, Ex. No. 2A-4
CID 156906029
US10995084, Ex. No. 2B-5
CID 156906034
US10995084, Ex. No. 2B-16
CID 156906046
US10995084, Ex. No. 2B-17
CID 156906047
US10995084, Ex. No. 2B-19
CID 156906049
US10995084, Ex. No. 2C-1
CID 156906050
US10995084, Ex. No. 2C-2
CID 156906051
US10995084, Ex. No. 4A-5
CID 156906076
US10995084, Ex. No. 4B-14
CID 156906093
US10995084, Ex. No. 4B-16
CID 156906095

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide?
The IUPAC name of N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide (CID 138487828) is N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide.
What is the SMILES notation for N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide?
The canonical SMILES for N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide is Cc1cc(Oc2ccc(C(=O)NC(C)C(=O)N3[C@H](c4cc(F)cc(F)c4)CC[C@@H]3C(C)(C)C#N)cc2C)c(=O)[nH]n1.
What is the InChIKey of N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide?
The InChIKey is FSYOEDDZFRSQJL-ONFYXREYSA-N. The full InChI is InChI=1S/C30H31F2N5O4/c1-16-10-19(6-8-24(16)41-25-11-17(2)35-36-28(25)39)27(38)34-18(3)29(40)37-23(7-9-26(37)30(4,5)15-33)20-12-21(31)14-22(32)13-20/h6,8,10-14,18,23,26H,7,9H2,1-5H3,(H,34,38)(H,36,39)/t18?,23-,26+/m0/s1.
What are the key properties of N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide?
N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide has a molecular weight of 563.61 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3,5-difluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide is sourced from PubChem (CID 138487828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).