N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine

C25H29N3O — CID 21094643

IUPACN-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine
SMILESCCCN(Cc1ccco1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C
InChIInChI=1S/C25H29N3O/c1-6-12-28(16-20-9-8-13-29-20)25-22-11-7-10-21(24(22)26-27(25)5)23-18(3)14-17(2)15-19(23)4/h7-11,13-15H,6,12,16H2,1-5H3
InChIKeyHLDJKMOQOYXEPU-UHFFFAOYSA-N
MW387.53 g/mol
LogP6.18
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine

N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine (PubChem CID 21094643) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine
PubChem CID21094643
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine
SMILESCCCN(Cc1ccco1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C
InChIInChI=1S/C25H29N3O/c1-6-12-28(16-20-9-8-13-29-20)25-22-11-7-10-21(24(22)26-27(25)5)23-18(3)14-17(2)15-19(23)4/h7-11,13-15H,6,12,16H2,1-5H3
InChIKeyHLDJKMOQOYXEPU-UHFFFAOYSA-N
XLogP6.18
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)furan-2-carboxamide
CID 73331364
2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134808234
3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118335535
N-[4-(3,4-dimethylphenyl)-1-phthalazinyl]-N-(2-furylmethyl)amine
CID 6408849
6-(furan-2-yl)-5-methyl-4-phenyl-1-propan-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276579
N-[(Furan-2-YL)methyl]-4-({5-oxo-2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}methyl)benzamide
CID 46279487
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 91644543
N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine;2,2,2-trifluoroacetic acid
CID 69150845
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 69293235
N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118335612
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
2-(4-ethylphenyl)-4-(furan-2-ylmethyl)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140633844

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine (CID 21094643) is N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine is CCCN(Cc1ccco1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine?
The InChIKey is HLDJKMOQOYXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-6-12-28(16-20-9-8-13-29-20)25-22-11-7-10-21(24(22)26-27(25)5)23-18(3)14-17(2)15-19(23)4/h7-11,13-15H,6,12,16H2,1-5H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine?
N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine has a molecular weight of 387.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)indazol-3-amine is sourced from PubChem (CID 21094643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).