1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide

C17H23N5O2 — CID 56814639

IUPAC1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1nc2ccnn2c(C)c1CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)22-15(20-11)5-8-19-22)3-4-16(23)21-9-6-13(7-10-21)17(18)24/h5,8,13H,3-4,6-7,9-10H2,1-2H3,(H2,18,24)
InChIKeyWLVVOXNXEOQDCZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.00
Rot. Bonds4

About 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide

1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 56814639) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
PubChem CID56814639
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1nc2ccnn2c(C)c1CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)22-15(20-11)5-8-19-22)3-4-16(23)21-9-6-13(7-10-21)17(18)24/h5,8,13H,3-4,6-7,9-10H2,1-2H3,(H2,18,24)
InChIKeyWLVVOXNXEOQDCZ-UHFFFAOYSA-N
XLogP1.00
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 82506740
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 51327542
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 136568020
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 91830846
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55465695
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489833
3-[2-(1-cyclopentylpyrrolidin-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110088000
3-[5,7-dimethyl-2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124952047
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153001
3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 125022741
3-[2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 124947400

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide (CID 56814639) is 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide is Cc1nc2ccnn2c(C)c1CCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is WLVVOXNXEOQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-14(12(2)22-15(20-11)5-8-19-22)3-4-16(23)21-9-6-13(7-10-21)17(18)24/h5,8,13H,3-4,6-7,9-10H2,1-2H3,(H2,18,24).
What are the key properties of 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide?
1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 56814639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).