tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate

C25H34N6O5 — CID 70317979

IUPACtert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate
SMILESCCCOCCn1c(=O)c(NCCNC(=O)OC(C)(C)C)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H34N6O5/c1-6-12-35-13-11-31-20-14-18(17-7-8-21(34-5)29-15-17)28-16-19(20)30-22(23(31)32)26-9-10-27-24(33)36-25(2,3)4/h7-8,14-16H,6,9-13H2,1-5H3,(H,26,30)(H,27,33)
InChIKeyHNGCJJXDCHFBQP-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.23
Rot. Bonds11

About tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate (PubChem CID 70317979) has the molecular formula C25H34N6O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate
PubChem CID70317979
Molecular FormulaC25H34N6O5
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Nametert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate
SMILESCCCOCCn1c(=O)c(NCCNC(=O)OC(C)(C)C)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H34N6O5/c1-6-12-35-13-11-31-20-14-18(17-7-8-21(34-5)29-15-17)28-16-19(20)30-22(23(31)32)26-9-10-27-24(33)36-25(2,3)4/h7-8,14-16H,6,9-13H2,1-5H3,(H,26,30)(H,27,33)
InChIKeyHNGCJJXDCHFBQP-UHFFFAOYSA-N
XLogP3.23
TPSA129.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypropylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992528
3-[2-[[methoxy(methyl)phosphanyl]amino]ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 143336664
1,1,1-trifluoro-N-[3-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]propyl]methanesulfonamide
CID 70315225
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
CID 11993462
3-[(4-hydroxycyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992634
7-(6-methoxy-3-pyridinyl)-3-[methyl-[2-(methylamino)ethyl]amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 70316196
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
CID 70320421
3-[2-(4-fluoroanilino)ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70321011
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
CID 11993435
3-[[(2R)-2-hydroxypropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 45486564
7-(6-methoxy-3-pyridinyl)-4-(2-propan-2-yloxyethylamino)-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2-one
CID 56587955
3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11993564

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate (CID 70317979) is tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate is CCCOCCn1c(=O)c(NCCNC(=O)OC(C)(C)C)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate?
The InChIKey is HNGCJJXDCHFBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O5/c1-6-12-35-13-11-31-20-14-18(17-7-8-21(34-5)29-15-17)28-16-19(20)30-22(23(31)32)26-9-10-27-24(33)36-25(2,3)4/h7-8,14-16H,6,9-13H2,1-5H3,(H,26,30)(H,27,33).
What are the key properties of tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate has a molecular weight of 498.58 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate is sourced from PubChem (CID 70317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).