ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

C17H19N5O2 — CID 10087756

IUPACethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILES[2H]c1cccc(C2=Nc3c(cc(NC(=O)OCC)nc3N)N[C@H]2C)c1
InChIInChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1/i5D
InChIKeyXXBDOTXPQDVHIP-CIPBNSADSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds3

About ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (PubChem CID 10087756) has the molecular formula C17H19N5O2 and a molecular weight of 326.38 g/mol. Its IUPAC name is ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
PubChem CID10087756
Molecular FormulaC17H19N5O2
Molecular Weight326.38 g/mol
Exact Mass326.16
IUPAC Nameethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILES[2H]c1cccc(C2=Nc3c(cc(NC(=O)OCC)nc3N)N[C@H]2C)c1
InChIInChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1/i5D
InChIKeyXXBDOTXPQDVHIP-CIPBNSADSA-N
XLogP3.17
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 6711493
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate;methane
CID 158958595
ethyl N-(5-amino-2,3-diphenyl-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazin-7-yl)carbamate
CID 69182791
acetylene;ethyl N-[5-amino-3-[4-(butylcarbamoyloxy)phenyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 142848699
ethyl N-(5-amino-3-butyl-2-methyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91261655
ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 46829310
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
propyl N-[5-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 142848653
benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 91494646
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (CID 10087756) is ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is [2H]c1cccc(C2=Nc3c(cc(NC(=O)OCC)nc3N)N[C@H]2C)c1.
What is the InChIKey of ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The InChIKey is XXBDOTXPQDVHIP-CIPBNSADSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1/i5D.
What are the key properties of ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate has a molecular weight of 326.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-5-amino-3-(3-deuteriophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is sourced from PubChem (CID 10087756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).