N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C21H22ClN3O4 — CID 22523001

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCCn1cc2c(n1)-c1c(oc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c1C)CC2
InChIInChI=1S/C21H22ClN3O4/c1-5-25-10-12-6-7-15-18(19(12)24-25)11(2)20(29-15)21(26)23-14-8-13(22)16(27-3)9-17(14)28-4/h8-10H,5-7H2,1-4H3,(H,23,26)
InChIKeyHNYZGNIBQHNZRC-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.49
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 22523001) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID22523001
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCCn1cc2c(n1)-c1c(oc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c1C)CC2
InChIInChI=1S/C21H22ClN3O4/c1-5-25-10-12-6-7-15-18(19(12)24-25)11(2)20(29-15)21(26)23-14-8-13(22)16(27-3)9-17(14)28-4/h8-10H,5-7H2,1-4H3,(H,23,26)
InChIKeyHNYZGNIBQHNZRC-UHFFFAOYSA-N
XLogP4.49
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523009
2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523122
2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 45106491
N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 20887552
N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523044
methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate
CID 6625461
N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523053
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096025
N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096056
N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-2-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517499
2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517880
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523038

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 22523001) is N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is CCn1cc2c(n1)-c1c(oc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c1C)CC2.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is HNYZGNIBQHNZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-5-25-10-12-6-7-15-18(19(12)24-25)11(2)20(29-15)21(26)23-14-8-13(22)16(27-3)9-17(14)28-4/h8-10H,5-7H2,1-4H3,(H,23,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22523001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).