N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C18H20N6O4 — CID 166618296

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ncoc1C(=O)N1CCc2c(C(=O)NCc3c(C)noc3C)n[nH]c2C1
InChIInChI=1S/C18H20N6O4/c1-9-13(11(3)28-23-9)6-19-17(25)15-12-4-5-24(7-14(12)21-22-15)18(26)16-10(2)20-8-27-16/h8H,4-7H2,1-3H3,(H,19,25)(H,21,22)
InChIKeyXHLLFEFANHSJEQ-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.44
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166618296) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166618296
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ncoc1C(=O)N1CCc2c(C(=O)NCc3c(C)noc3C)n[nH]c2C1
InChIInChI=1S/C18H20N6O4/c1-9-13(11(3)28-23-9)6-19-17(25)15-12-4-5-24(7-14(12)21-22-15)18(26)16-10(2)20-8-27-16/h8H,4-7H2,1-3H3,(H,19,25)(H,21,22)
InChIKeyXHLLFEFANHSJEQ-UHFFFAOYSA-N
XLogP1.44
TPSA130.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166618296) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ncoc1C(=O)N1CCc2c(C(=O)NCc3c(C)noc3C)n[nH]c2C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is XHLLFEFANHSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-9-13(11(3)28-23-9)6-19-17(25)15-12-4-5-24(7-14(12)21-22-15)18(26)16-10(2)20-8-27-16/h8H,4-7H2,1-3H3,(H,19,25)(H,21,22).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166618296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).