N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H27N5O3 — CID 125007166

IUPACN,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)C4CCOCC4)C3)ccnc12
InChIInChI=1S/C20H27N5O3/c1-23(2)20(27)16-12-22-25-17(5-8-21-18(16)25)15-4-3-9-24(13-15)19(26)14-6-10-28-11-7-14/h5,8,12,14-15H,3-4,6-7,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyULJNXNCQGJJDER-HNNXBMFYSA-N
MW385.47 g/mol
LogP1.56
Rot. Bonds3

About N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 125007166) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID125007166
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)C4CCOCC4)C3)ccnc12
InChIInChI=1S/C20H27N5O3/c1-23(2)20(27)16-12-22-25-17(5-8-21-18(16)25)15-4-3-9-24(13-15)19(26)14-6-10-28-11-7-14/h5,8,12,14-15H,3-4,6-7,9-11,13H2,1-2H3/t15-/m0/s1
InChIKeyULJNXNCQGJJDER-HNNXBMFYSA-N
XLogP1.56
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

5-Cyclopropyl-7-(difluoromethyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2165688
Ethyl 1-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-3-piperidinecarboxylate
CID 2974735
1-[(5,7-Dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
CID 3244226
N-[1-(oxan-4-yl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555267
6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873859
5-Cyclopropyl-7-(difluoromethyl)-3-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2980648
US11186582, Example 435
CID 118479732
N~3~-allyl-N~3~-methyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53015717
3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 56814687
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926845
N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]oxane-4-carboxamide
CID 92445580
1-[4-(1-Methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92566414

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 125007166) is N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)C4CCOCC4)C3)ccnc12.
What is the InChIKey of N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ULJNXNCQGJJDER-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-23(2)20(27)16-12-22-25-17(5-8-21-18(16)25)15-4-3-9-24(13-15)19(26)14-6-10-28-11-7-14/h5,8,12,14-15H,3-4,6-7,9-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 125007166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).