[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

C22H28N6O — CID 95229392

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cnn2c1
InChIInChI=1S/C22H28N6O/c1-3-26(4-2)15-17-12-24-21-19(14-25-28(21)16-17)22(29)27-11-6-5-9-20(27)18-8-7-10-23-13-18/h7-8,10,12-14,16,20H,3-6,9,11,15H2,1-2H3/t20-/m0/s1
InChIKeyCAPUAGSJRHFDNS-FQEVSTJZSA-N
MW392.51 g/mol
LogP3.33
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (PubChem CID 95229392) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
PubChem CID95229392
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cnn2c1
InChIInChI=1S/C22H28N6O/c1-3-26(4-2)15-17-12-24-21-19(14-25-28(21)16-17)22(29)27-11-6-5-9-20(27)18-8-7-10-23-13-18/h7-8,10,12-14,16,20H,3-6,9,11,15H2,1-2H3/t20-/m0/s1
InChIKeyCAPUAGSJRHFDNS-FQEVSTJZSA-N
XLogP3.33
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95211626
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-propylpyrrolidin-1-yl]methanone
CID 95199911
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154797524
4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56712838
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
CID 95189989
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95204288
6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191738
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(6-ethyl-2-methylquinolin-4-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95723621
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (CID 95229392) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The InChIKey is CAPUAGSJRHFDNS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-26(4-2)15-17-12-24-21-19(14-25-28(21)16-17)22(29)27-11-6-5-9-20(27)18-8-7-10-23-13-18/h7-8,10,12-14,16,20H,3-6,9,11,15H2,1-2H3/t20-/m0/s1.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone has a molecular weight of 392.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95229392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).