N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C26H26N4O3 — CID 56665249

IUPACN-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)C(c3ccncc3)C1C2
InChIInChI=1S/C26H26N4O3/c1-15-5-6-21(16(2)11-15)28-26(31)30-25(17-7-9-27-10-8-17)20-12-18-13-22(32-3)23(33-4)14-19(18)24(20)29-30/h5-11,13-14,20,25H,12H2,1-4H3,(H,28,31)
InChIKeyKUIUWJIDHSFJEX-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.88
Rot. Bonds4

About N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56665249) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56665249
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)C(c3ccncc3)C1C2
InChIInChI=1S/C26H26N4O3/c1-15-5-6-21(16(2)11-15)28-26(31)30-25(17-7-9-27-10-8-17)20-12-18-13-22(32-3)23(33-4)14-19(18)24(20)29-30/h5-11,13-14,20,25H,12H2,1-4H3,(H,28,31)
InChIKeyKUIUWJIDHSFJEX-UHFFFAOYSA-N
XLogP4.88
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]pyrrolidine-1-carboxamide
CID 44282324
3-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-phenyl}-1,1-diethyl-urea
CID 44282358
1-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-ethyl]-phenyl}-3-methyl-urea
CID 44282388
6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carbothioamide
CID 56658309
N-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56661807
N-(3-chloro-4-fluoro-phenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56663141
N-(4-bromophenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56670012
N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56676837
N-(4-chlorophenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56931726
6,7-dimethoxy-N-(4-nitrophenyl)-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56931867
N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56661808
N-(2,6-dimethylphenyl)-6,7-dimethoxy-3-(4-pyridyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56661809

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56665249) is N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)C(c3ccncc3)C1C2.
What is the InChIKey of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is KUIUWJIDHSFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-15-5-6-21(16(2)11-15)28-26(31)30-25(17-7-9-27-10-8-17)20-12-18-13-22(32-3)23(33-4)14-19(18)24(20)29-30/h5-11,13-14,20,25H,12H2,1-4H3,(H,28,31).
What are the key properties of N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6,7-dimethoxy-3-pyridin-4-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56665249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).