N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C26H23ClN4O3 — CID 166096056

IUPACN-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C(N)=O)cc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C26H23ClN4O3/c1-15-22-21(34-24(15)26(33)29-12-16-2-6-18(7-3-16)25(28)32)11-8-19-14-31(30-23(19)22)13-17-4-9-20(27)10-5-17/h2-7,9-10,14H,8,11-13H2,1H3,(H2,28,32)(H,29,33)
InChIKeyROGKYNBEYRTOAX-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.28
Rot. Bonds6

About N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 166096056) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID166096056
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC NameN-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2ccc(C(N)=O)cc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C26H23ClN4O3/c1-15-22-21(34-24(15)26(33)29-12-16-2-6-18(7-3-16)25(28)32)11-8-19-14-31(30-23(19)22)13-17-4-9-20(27)10-5-17/h2-7,9-10,14H,8,11-13H2,1H3,(H2,28,32)(H,29,33)
InChIKeyROGKYNBEYRTOAX-UHFFFAOYSA-N
XLogP4.28
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 166096056) is N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NCc2ccc(C(N)=O)cc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is ROGKYNBEYRTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-15-22-21(34-24(15)26(33)29-12-16-2-6-18(7-3-16)25(28)32)11-8-19-14-31(30-23(19)22)13-17-4-9-20(27)10-5-17/h2-7,9-10,14H,8,11-13H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 166096056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).