tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate

C22H25N5O5 — CID 86643901

IUPACtert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate
SMILESCOc1ccc2ncc(=O)n(-c3cnc4c(c3)COCC4CNC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C22H25N5O5/c1-22(2,3)32-21(29)25-8-14-12-31-11-13-7-15(9-24-19(13)14)27-18(28)10-23-16-5-6-17(30-4)26-20(16)27/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,25,29)
InChIKeyQYKAQNJTPQRZKS-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.32
Rot. Bonds4

About tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate

tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate (PubChem CID 86643901) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate
PubChem CID86643901
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Nametert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate
SMILESCOc1ccc2ncc(=O)n(-c3cnc4c(c3)COCC4CNC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C22H25N5O5/c1-22(2,3)32-21(29)25-8-14-12-31-11-13-7-15(9-24-19(13)14)27-18(28)10-23-16-5-6-17(30-4)26-20(16)27/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,25,29)
InChIKeyQYKAQNJTPQRZKS-UHFFFAOYSA-N
XLogP2.32
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate (CID 86643901) is tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate is COc1ccc2ncc(=O)n(-c3cnc4c(c3)COCC4CNC(=O)OC(C)(C)C)c2n1.
What is the InChIKey of tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate?
The InChIKey is QYKAQNJTPQRZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-22(2,3)32-21(29)25-8-14-12-31-11-13-7-15(9-24-19(13)14)27-18(28)10-23-16-5-6-17(30-4)26-20(16)27/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,25,29).
What are the key properties of tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate?
tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate has a molecular weight of 439.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate is sourced from PubChem (CID 86643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).