[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C20H30N6O — CID 95727070

IUPAC[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC[C@]4(CCNC4)C3)cnn2c1
InChIInChI=1S/C20H30N6O/c1-3-24(4-2)12-16-10-22-18-17(11-23-26(18)13-16)19(27)25-9-5-6-20(15-25)7-8-21-14-20/h10-11,13,21H,3-9,12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyQDKOMQDNDAQGLH-HXUWFJFHSA-N
MW370.50 g/mol
LogP1.79
Rot. Bonds5

About [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 95727070) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID95727070
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC[C@]4(CCNC4)C3)cnn2c1
InChIInChI=1S/C20H30N6O/c1-3-24(4-2)12-16-10-22-18-17(11-23-26(18)13-16)19(27)25-9-5-6-20(15-25)7-8-21-14-20/h10-11,13,21H,3-9,12,14-15H2,1-2H3/t20-/m1/s1
InChIKeyQDKOMQDNDAQGLH-HXUWFJFHSA-N
XLogP1.79
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
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]-(3-ethylpiperazin-1-yl)methanone
CID 56704782
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95204288
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-propylpyrrolidin-1-yl]methanone
CID 95199911
6-(diethylaminomethyl)-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
CID 56721952
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 110485292
[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]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95211626

Frequently Asked Questions

What is the IUPAC name of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 95727070) is [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@]4(CCNC4)C3)cnn2c1.
What is the InChIKey of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is QDKOMQDNDAQGLH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N6O/c1-3-24(4-2)12-16-10-22-18-17(11-23-26(18)13-16)19(27)25-9-5-6-20(15-25)7-8-21-14-20/h10-11,13,21H,3-9,12,14-15H2,1-2H3/t20-/m1/s1.
What are the key properties of [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 370.50 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 95727070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).