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

C24H32N4O2 — CID 22136309

IUPACN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C24H32N4O2/c1-17-14-18(2)22(19(3)15-17)28-10-6-9-21-23(28)25-26(4)24(21)27(11-13-29-5)16-20-8-7-12-30-20/h7-8,12,14-15H,6,9-11,13,16H2,1-5H3
InChIKeyVCVVDAYULISRPK-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.68
Rot. Bonds7

About 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

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 (PubChem CID 22136309) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID22136309
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C24H32N4O2/c1-17-14-18(2)22(19(3)15-17)28-10-6-9-21-23(28)25-26(4)24(21)27(11-13-29-5)16-20-8-7-12-30-20/h7-8,12,14-15H,6,9-11,13,16H2,1-5H3
InChIKeyVCVVDAYULISRPK-UHFFFAOYSA-N
XLogP4.68
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 866422
6-(2-furyl)-1-(2-methylphenyl)-5-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 9550120
2-[3-(2,4-Dimethylphenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]pyrimidin-8-yl]furan
CID 664598
5-(3-Fluoro-4-methylphenyl)-6-(furan-2-YL)-1-(2-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 20853931
4-[4-(dimethylamino)phenyl]-1-(2-furylmethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136076863
2-methyl-4-[(5-methylfuran-2-yl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134808234
N4-(2,4-dimethylphenyl)-N6-[(furan-2-yl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27486827
6-(furan-2-yl)-5-methyl-4-phenyl-1-propan-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276579
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944165
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[furan-2-ylmethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 1056589
Ethyl({[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl})[(furan-2-YL)methyl]amine
CID 42690492

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 22136309) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCN(Cc1ccco1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 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?
The InChIKey is VCVVDAYULISRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-14-18(2)22(19(3)15-17)28-10-6-9-21-23(28)25-26(4)24(21)27(11-13-29-5)16-20-8-7-12-30-20/h7-8,12,14-15H,6,9-11,13,16H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 408.55 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22136309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).