N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H35N5O2 — CID 55723342

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCCN3CC(C)CC(C)C3)c(C)c12
InChIInChI=1S/C22H35N5O2/c1-14-11-15(2)13-27(12-14)10-9-23-19(28)8-7-18-16(3)20-21(24-17(18)4)26(5)25-22(20)29-6/h14-15H,7-13H2,1-6H3,(H,23,28)
InChIKeyOYDPIKMEWXJMJQ-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 55723342) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID55723342
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NCCN3CC(C)CC(C)C3)c(C)c12
InChIInChI=1S/C22H35N5O2/c1-14-11-15(2)13-27(12-14)10-9-23-19(28)8-7-18-16(3)20-21(24-17(18)4)26(5)25-22(20)29-6/h14-15H,7-13H2,1-6H3,(H,23,28)
InChIKeyOYDPIKMEWXJMJQ-UHFFFAOYSA-N
XLogP2.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.62
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-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467
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-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 55650434
1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113261
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
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112820934
N-(1-cyanocyclohexyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 87012100
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 55723342) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NCCN3CC(C)CC(C)C3)c(C)c12.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is OYDPIKMEWXJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-14-11-15(2)13-27(12-14)10-9-23-19(28)8-7-18-16(3)20-21(24-17(18)4)26(5)25-22(20)29-6/h14-15H,7-13H2,1-6H3,(H,23,28).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 401.56 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 55723342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).