8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one

C21H24N6O3 — CID 90644468

IUPAC8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one
SMILESCc1onc(C(=O)N2[C@@H]3CC[C@H]2CC(Nc2cc(=O)n(C)c4nccnc24)C3)c1C
InChIInChI=1S/C21H24N6O3/c1-11-12(2)30-25-18(11)21(29)27-14-4-5-15(27)9-13(8-14)24-16-10-17(28)26(3)20-19(16)22-6-7-23-20/h6-7,10,13-15,24H,4-5,8-9H2,1-3H3/t13?,14-,15+
InChIKeyLACCMWQRAUAHAD-GOOCMWNKSA-N
MW408.46 g/mol
LogP2.18
Rot. Bonds3

About 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one

8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one (PubChem CID 90644468) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one
PubChem CID90644468
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one
SMILESCc1onc(C(=O)N2[C@@H]3CC[C@H]2CC(Nc2cc(=O)n(C)c4nccnc24)C3)c1C
InChIInChI=1S/C21H24N6O3/c1-11-12(2)30-25-18(11)21(29)27-14-4-5-15(27)9-13(8-14)24-16-10-17(28)26(3)20-19(16)22-6-7-23-20/h6-7,10,13-15,24H,4-5,8-9H2,1-3H3/t13?,14-,15+
InChIKeyLACCMWQRAUAHAD-GOOCMWNKSA-N
XLogP2.18
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one (CID 90644468) is 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one is Cc1onc(C(=O)N2[C@@H]3CC[C@H]2CC(Nc2cc(=O)n(C)c4nccnc24)C3)c1C.
What is the InChIKey of 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one?
The InChIKey is LACCMWQRAUAHAD-GOOCMWNKSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-11-12(2)30-25-18(11)21(29)27-14-4-5-15(27)9-13(8-14)24-16-10-17(28)26(3)20-19(16)22-6-7-23-20/h6-7,10,13-15,24H,4-5,8-9H2,1-3H3/t13?,14-,15+.
What are the key properties of 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one?
8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one has a molecular weight of 408.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1S,5R)-8-(4,5-dimethyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-5-methylpyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 90644468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).