N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide

C22H23Cl2N3O2 — CID 129300790

IUPACN-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide
SMILESCC1(Cl)C=CC=C(c2ccc(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)o2)C1Cl
InChIInChI=1S/C22H23Cl2N3O2/c1-22(24)10-2-3-16(20(22)23)18-8-9-19(29-18)21(28)27(14-4-5-14)15-6-7-17-13(11-15)12-25-26-17/h2-3,8-10,12,14-15,20H,4-7,11H2,1H3,(H,25,26)
InChIKeyQNPAUGUVGCGCLN-UHFFFAOYSA-N
MW432.35 g/mol
LogP4.72
Rot. Bonds4

About N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide

N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide (PubChem CID 129300790) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide
PubChem CID129300790
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC NameN-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide
SMILESCC1(Cl)C=CC=C(c2ccc(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)o2)C1Cl
InChIInChI=1S/C22H23Cl2N3O2/c1-22(24)10-2-3-16(20(22)23)18-8-9-19(29-18)21(28)27(14-4-5-14)15-6-7-17-13(11-15)12-25-26-17/h2-3,8-10,12,14-15,20H,4-7,11H2,1H3,(H,25,26)
InChIKeyQNPAUGUVGCGCLN-UHFFFAOYSA-N
XLogP4.72
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide (CID 129300790) is N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide is CC1(Cl)C=CC=C(c2ccc(C(=O)N(C3CC3)C3CCc4[nH]ncc4C3)o2)C1Cl.
What is the InChIKey of N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide?
The InChIKey is QNPAUGUVGCGCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-22(24)10-2-3-16(20(22)23)18-8-9-19(29-18)21(28)27(14-4-5-14)15-6-7-17-13(11-15)12-25-26-17/h2-3,8-10,12,14-15,20H,4-7,11H2,1H3,(H,25,26).
What are the key properties of N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide?
N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide has a molecular weight of 432.35 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(5,6-dichloro-5-methylcyclohexa-1,3-dien-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 129300790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).