(5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

C35H32Cl2FN9O3 — CID 58431245

IUPAC(5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
SMILESCC(C)(N)c1ccc(C2(NC(=O)C3(NC(=O)c4cnc5n4[C@](C)(Cc4ccc(C#N)cc4)C(=O)N5c4cc(Cl)c(F)c(Cl)c4)CC3)CC2)nn1
InChIInChI=1S/C35H32Cl2FN9O3/c1-32(2,40)25-8-9-26(45-44-25)34(10-11-34)43-29(49)35(12-13-35)42-28(48)24-18-41-31-46(21-14-22(36)27(38)23(37)15-21)30(50)33(3,47(24)31)16-19-4-6-20(17-39)7-5-19/h4-9,14-15,18H,10-13,16,40H2,1-3H3,(H,42,48)(H,43,49)/t33-/m1/s1
InChIKeyFGFPPPGBXAQTCN-MGBGTMOVSA-N
MW716.61 g/mol
LogP4.89
Rot. Bonds9

About (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

(5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (PubChem CID 58431245) has the molecular formula C35H32Cl2FN9O3 and a molecular weight of 716.61 g/mol. Its IUPAC name is (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
PubChem CID58431245
Molecular FormulaC35H32Cl2FN9O3
Molecular Weight716.61 g/mol
Exact Mass715.20
IUPAC Name(5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
SMILESCC(C)(N)c1ccc(C2(NC(=O)C3(NC(=O)c4cnc5n4[C@](C)(Cc4ccc(C#N)cc4)C(=O)N5c4cc(Cl)c(F)c(Cl)c4)CC3)CC2)nn1
InChIInChI=1S/C35H32Cl2FN9O3/c1-32(2,40)25-8-9-26(45-44-25)34(10-11-34)43-29(49)35(12-13-35)42-28(48)24-18-41-31-46(21-14-22(36)27(38)23(37)15-21)30(50)33(3,47(24)31)16-19-4-6-20(17-39)7-5-19/h4-9,14-15,18H,10-13,16,40H2,1-3H3,(H,42,48)(H,43,49)/t33-/m1/s1
InChIKeyFGFPPPGBXAQTCN-MGBGTMOVSA-N
XLogP4.89
TPSA171.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500716.61
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-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 (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The IUPAC name of (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide (CID 58431245) is (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The canonical SMILES for (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is CC(C)(N)c1ccc(C2(NC(=O)C3(NC(=O)c4cnc5n4[C@](C)(Cc4ccc(C#N)cc4)C(=O)N5c4cc(Cl)c(F)c(Cl)c4)CC3)CC2)nn1.
What is the InChIKey of (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
The InChIKey is FGFPPPGBXAQTCN-MGBGTMOVSA-N. The full InChI is InChI=1S/C35H32Cl2FN9O3/c1-32(2,40)25-8-9-26(45-44-25)34(10-11-34)43-29(49)35(12-13-35)42-28(48)24-18-41-31-46(21-14-22(36)27(38)23(37)15-21)30(50)33(3,47(24)31)16-19-4-6-20(17-39)7-5-19/h4-9,14-15,18H,10-13,16,40H2,1-3H3,(H,42,48)(H,43,49)/t33-/m1/s1.
What are the key properties of (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide?
(5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide has a molecular weight of 716.61 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[1-[[1-[6-(2-aminopropan-2-yl)pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 58431245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).