3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C23H28N4O3 — CID 94079742

IUPAC3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C23H28N4O3/c1-15-19(11-12-20(28)24-14-18-10-7-13-30-18)23(29-3)25-22-21(15)16(2)26-27(22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyDJGBVEHRVLKUFC-GOSISDBHSA-N
MW408.50 g/mol
LogP3.27
Rot. Bonds7

About 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 94079742) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID94079742
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C23H28N4O3/c1-15-19(11-12-20(28)24-14-18-10-7-13-30-18)23(29-3)25-22-21(15)16(2)26-27(22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyDJGBVEHRVLKUFC-GOSISDBHSA-N
XLogP3.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 50796369
3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94079737
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 23603953
3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 46042535
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 50796311
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 50796242
N-[2-(1H-indol-3-yl)ethyl]-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796302
N-cyclohexyl-3-(6-ethoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796215
N-cyclohexyl-3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796244
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93328746
3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(2-methylphenyl)propanamide
CID 50796263
1-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92752236

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 94079742) is 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is DJGBVEHRVLKUFC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-19(11-12-20(28)24-14-18-10-7-13-30-18)23(29-3)25-22-21(15)16(2)26-27(22)17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3,(H,24,28)/t18-/m1/s1.
What are the key properties of 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 94079742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).