3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide

C27H30N4O3 — CID 55903875

IUPAC3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCc3cccc(COc4ccccc4)c3)c(C)c12
InChIInChI=1S/C27H30N4O3/c1-18-23(19(2)29-26-25(18)27(33-4)30-31(26)3)13-14-24(32)28-16-20-9-8-10-21(15-20)17-34-22-11-6-5-7-12-22/h5-12,15H,13-14,16-17H2,1-4H3,(H,28,32)
InChIKeyNRUKHJIOOLEUTJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.42
Rot. Bonds9

About 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide (PubChem CID 55903875) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide
PubChem CID55903875
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCc3cccc(COc4ccccc4)c3)c(C)c12
InChIInChI=1S/C27H30N4O3/c1-18-23(19(2)29-26-25(18)27(33-4)30-31(26)3)13-14-24(32)28-16-20-9-8-10-21(15-20)17-34-22-11-6-5-7-12-22/h5-12,15H,13-14,16-17H2,1-4H3,(H,28,32)
InChIKeyNRUKHJIOOLEUTJ-UHFFFAOYSA-N
XLogP4.42
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55795871
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
CID 86930170
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55615609
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119641632
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 118732386

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide (CID 55903875) is 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NCc3cccc(COc4ccccc4)c3)c(C)c12.
What is the InChIKey of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide?
The InChIKey is NRUKHJIOOLEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-18-23(19(2)29-26-25(18)27(33-4)30-31(26)3)13-14-24(32)28-16-20-9-8-10-21(15-20)17-34-22-11-6-5-7-12-22/h5-12,15H,13-14,16-17H2,1-4H3,(H,28,32).
What are the key properties of 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide?
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide has a molecular weight of 458.56 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55903875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).