N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide

C30H29ClF4N6O5 — CID 156807718

IUPACN-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide
SMILESCn1c(-c2ccc(OC(F)F)c(F)c2F)cnc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)C3)CC2)c(Cl)c1
InChIInChI=1S/C30H29ClF4N6O5/c1-39-21(19-4-5-22(46-30(34)35)24(33)23(19)32)13-37-26(39)27(43)38-17-2-3-18(20(31)12-17)29(45)40-9-6-15(7-10-40)28(44)41-11-8-16(14-41)25(36)42/h2-5,12-13,15-16,30H,6-11,14H2,1H3,(H2,36,42)(H,38,43)
InChIKeyYQTRRYBFUPSUGD-UHFFFAOYSA-N
MW665.04 g/mol
LogP4.06
Rot. Bonds8

About N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide

N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide (PubChem CID 156807718) has the molecular formula C30H29ClF4N6O5 and a molecular weight of 665.04 g/mol. Its IUPAC name is N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide
PubChem CID156807718
Molecular FormulaC30H29ClF4N6O5
Molecular Weight665.04 g/mol
Exact Mass664.18
IUPAC NameN-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide
SMILESCn1c(-c2ccc(OC(F)F)c(F)c2F)cnc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)C3)CC2)c(Cl)c1
InChIInChI=1S/C30H29ClF4N6O5/c1-39-21(19-4-5-22(46-30(34)35)24(33)23(19)32)13-37-26(39)27(43)38-17-2-3-18(20(31)12-17)29(45)40-9-6-15(7-10-40)28(44)41-11-8-16(14-41)25(36)42/h2-5,12-13,15-16,30H,6-11,14H2,1H3,(H2,36,42)(H,38,43)
InChIKeyYQTRRYBFUPSUGD-UHFFFAOYSA-N
XLogP4.06
TPSA139.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.04
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide (CID 156807718) is N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide is Cn1c(-c2ccc(OC(F)F)c(F)c2F)cnc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)C3)CC2)c(Cl)c1.
What is the InChIKey of N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide?
The InChIKey is YQTRRYBFUPSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClF4N6O5/c1-39-21(19-4-5-22(46-30(34)35)24(33)23(19)32)13-37-26(39)27(43)38-17-2-3-18(20(31)12-17)29(45)40-9-6-15(7-10-40)28(44)41-11-8-16(14-41)25(36)42/h2-5,12-13,15-16,30H,6-11,14H2,1H3,(H2,36,42)(H,38,43).
What are the key properties of N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide?
N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide has a molecular weight of 665.04 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-carbamoylpyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3-chlorophenyl]-5-[4-(difluoromethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 156807718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).