N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide

C20H29N5O2 — CID 30888762

IUPACN-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1
InChIInChI=1S/C20H29N5O2/c1-12-16(13(2)22-19-18(12)14(3)23-24(19)5)6-7-17(26)25-10-8-15(9-11-25)20(27)21-4/h15H,6-11H2,1-5H3,(H,21,27)
InChIKeyDKYMRJRYJLHYCI-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.81
Rot. Bonds4

About N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide

N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 30888762) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide
PubChem CID30888762
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1
InChIInChI=1S/C20H29N5O2/c1-12-16(13(2)22-19-18(12)14(3)23-24(19)5)6-7-17(26)25-10-8-15(9-11-25)20(27)21-4/h15H,6-11H2,1-5H3,(H,21,27)
InChIKeyDKYMRJRYJLHYCI-UHFFFAOYSA-N
XLogP1.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119561739
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]propan-1-one
CID 55956338
1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 119423405
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 24615818
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
ethyl 1-[3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanoyl]piperidine-4-carboxylate
CID 23603484
5-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one;dihydrochloride
CID 119647724
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 24645958
1-piperidin-1-yl-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
CID 23602926
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
1-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113261

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide (CID 30888762) is N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1.
What is the InChIKey of N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is DKYMRJRYJLHYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-12-16(13(2)22-19-18(12)14(3)23-24(19)5)6-7-17(26)25-10-8-15(9-11-25)20(27)21-4/h15H,6-11H2,1-5H3,(H,21,27).
What are the key properties of N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide?
N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 30888762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).