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

C20H27N5O3 — CID 110100947

IUPACN,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCN(C(=O)C4CCOCC4)CC3)ccnc12
InChIInChI=1S/C20H27N5O3/c1-23(2)20(27)16-13-22-25-17(3-8-21-18(16)25)14-4-9-24(10-5-14)19(26)15-6-11-28-12-7-15/h3,8,13-15H,4-7,9-12H2,1-2H3
InChIKeyUPMZRAAPKBBFBZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.56
Rot. Bonds3

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

N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110100947) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110100947
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c(C3CCN(C(=O)C4CCOCC4)CC3)ccnc12
InChIInChI=1S/C20H27N5O3/c1-23(2)20(27)16-13-22-25-17(3-8-21-18(16)25)14-4-9-24(10-5-14)19(26)15-6-11-28-12-7-15/h3,8,13-15H,4-7,9-12H2,1-2H3
InChIKeyUPMZRAAPKBBFBZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110100947) is N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c(C3CCN(C(=O)C4CCOCC4)CC3)ccnc12.
What is the InChIKey of N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UPMZRAAPKBBFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-23(2)20(27)16-13-22-25-17(3-8-21-18(16)25)14-4-9-24(10-5-14)19(26)15-6-11-28-12-7-15/h3,8,13-15H,4-7,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-[1-(oxane-4-carbonyl)piperidin-4-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-[1-(oxane-4-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110100947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).