N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H18N8O2 — CID 44824761

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc(-c4cnn(C)c4)nc4onc(C)c34)cc12
InChIInChI=1S/C20H18N8O2/c1-10-14-5-13(8-21-18(14)28(4)25-10)23-19(29)15-6-16(12-7-22-27(3)9-12)24-20-17(15)11(2)26-30-20/h5-9H,1-4H3,(H,23,29)
InChIKeyCGRLTCXKCUMYTP-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.77
Rot. Bonds3

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824761) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824761
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc(-c4cnn(C)c4)nc4onc(C)c34)cc12
InChIInChI=1S/C20H18N8O2/c1-10-14-5-13(8-21-18(14)28(4)25-10)23-19(29)15-6-16(12-7-22-27(3)9-12)24-20-17(15)11(2)26-30-20/h5-9H,1-4H3,(H,23,29)
InChIKeyCGRLTCXKCUMYTP-UHFFFAOYSA-N
XLogP2.77
TPSA116.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824761) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2ncc(NC(=O)c3cc(-c4cnn(C)c4)nc4onc(C)c34)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CGRLTCXKCUMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-10-14-5-13(8-21-18(14)28(4)25-10)23-19(29)15-6-16(12-7-22-27(3)9-12)24-20-17(15)11(2)26-30-20/h5-9H,1-4H3,(H,23,29).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).