N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N6O3 — CID 137018567

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C18H22N6O3/c1-11-7-13(22-27-11)10-23(2)18(26)14-9-20-24-15(8-16(25)21-17(14)24)12-3-5-19-6-4-12/h7-9,12,19H,3-6,10H2,1-2H3,(H,21,25)
InChIKeyAAIIYAWXZTUBMZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.06
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018567) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018567
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1
InChIInChI=1S/C18H22N6O3/c1-11-7-13(22-27-11)10-23(2)18(26)14-9-20-24-15(8-16(25)21-17(14)24)12-3-5-19-6-4-12/h7-9,12,19H,3-6,10H2,1-2H3,(H,21,25)
InChIKeyAAIIYAWXZTUBMZ-UHFFFAOYSA-N
XLogP1.06
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018567) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(CN(C)C(=O)c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AAIIYAWXZTUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-7-13(22-27-11)10-23(2)18(26)14-9-20-24-15(8-16(25)21-17(14)24)12-3-5-19-6-4-12/h7-9,12,19H,3-6,10H2,1-2H3,(H,21,25).
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).