[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C21H29N7O — CID 56740869

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC(Cn4cccn4)CC3)cnn2c1
InChIInChI=1S/C21H29N7O/c1-3-25(4-2)14-18-12-22-20-19(13-24-28(20)16-18)21(29)26-10-6-17(7-11-26)15-27-9-5-8-23-27/h5,8-9,12-13,16-17H,3-4,6-7,10-11,14-15H2,1-2H3
InChIKeyPTYZWCFWOPZEDA-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.32
Rot. Bonds7

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 56740869) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID56740869
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC(Cn4cccn4)CC3)cnn2c1
InChIInChI=1S/C21H29N7O/c1-3-25(4-2)14-18-12-22-20-19(13-24-28(20)16-18)21(29)26-10-6-17(7-11-26)15-27-9-5-8-23-27/h5,8-9,12-13,16-17H,3-4,6-7,10-11,14-15H2,1-2H3
InChIKeyPTYZWCFWOPZEDA-UHFFFAOYSA-N
XLogP2.32
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181627
Ethyl 4-[(pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]-1-piperidinecarboxylate
CID 1259056
N-[5-(4-cyanopiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49855517
N-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpiperidin-1-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49855709
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873900
US11142526, Example 144
CID 137533035
US10329294, Example 3
CID 122516664
2-[1-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53504403
2-[1-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53511840
(1-Tert-butylpyrazol-4-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53551597
(5-Methylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53559001
Imidazo[1,2-a]pyrimidin-2-yl-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53569583

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 56740869) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCC(Cn4cccn4)CC3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PTYZWCFWOPZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-3-25(4-2)14-18-12-22-20-19(13-24-28(20)16-18)21(29)26-10-6-17(7-11-26)15-27-9-5-8-23-27/h5,8-9,12-13,16-17H,3-4,6-7,10-11,14-15H2,1-2H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56740869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).