4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H19N7O2 — CID 139390661

IUPAC4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C(=O)NCc2cnn(C)c2)cc1
InChIInChI=1S/C19H19N7O2/c1-11-15(16(20)17-18(23-11)25-28-24-17)7-12-3-5-14(6-4-12)19(27)21-8-13-9-22-26(2)10-13/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,27)
InChIKeyWEBYYVZQSDCCKN-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.76
Rot. Bonds5

About 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 139390661) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID139390661
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C(=O)NCc2cnn(C)c2)cc1
InChIInChI=1S/C19H19N7O2/c1-11-15(16(20)17-18(23-11)25-28-24-17)7-12-3-5-14(6-4-12)19(27)21-8-13-9-22-26(2)10-13/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,27)
InChIKeyWEBYYVZQSDCCKN-UHFFFAOYSA-N
XLogP1.76
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 139390661) is 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cc1nc2nonc2c(N)c1Cc1ccc(C(=O)NCc2cnn(C)c2)cc1.
What is the InChIKey of 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WEBYYVZQSDCCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11-15(16(20)17-18(23-11)25-28-24-17)7-12-3-5-14(6-4-12)19(27)21-8-13-9-22-26(2)10-13/h3-6,9-10H,7-8,20H2,1-2H3,(H,21,27).
What are the key properties of 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 377.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 139390661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).