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

C24H25N5O3 — CID 19906255

IUPACethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OCc3ccccc3)cc1)C(C)N2
InChIInChI=1S/C24H25N5O3/c1-3-31-24(30)28-20-13-19-22(23(25)27-20)29-21(15(2)26-19)17-9-11-18(12-10-17)32-14-16-7-5-4-6-8-16/h4-13,15,26H,3,14H2,1-2H3,(H3,25,27,28,30)
InChIKeyCATINXDHZCVFMD-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.75
Rot. Bonds6

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

ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (PubChem CID 19906255) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
PubChem CID19906255
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Nameethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESCCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OCc3ccccc3)cc1)C(C)N2
InChIInChI=1S/C24H25N5O3/c1-3-31-24(30)28-20-13-19-22(23(25)27-20)29-21(15(2)26-19)17-9-11-18(12-10-17)32-14-16-7-5-4-6-8-16/h4-13,15,26H,3,14H2,1-2H3,(H3,25,27,28,30)
InChIKeyCATINXDHZCVFMD-UHFFFAOYSA-N
XLogP4.75
TPSA110.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Amino-1,2-dihydro-3-(4-methoxyphenyl)-2-methylpyrido(3,4-b)pyrazin-7-yl)carbamic acid ethyl ester
CID 459864
Ethyl 5-amino-1,2-dihydro-3-(4-hydroxyphenyl)-2-methylpyrido[3,4-b]pyrazin-7-ylcarbamate
CID 459870
ethyl N-[(2S)-5-amino-3-(4-hydroxyphenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 459888
ethyl N-[5-amino-3-[4-(butylcarbamoyloxy)phenyl]-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 10026259
ethyl N-[5-amino-3-[4-(2-chloroethylcarbamoyloxy)phenyl]-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 44386728
Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester
CID 100678
Ethyl (5-amino-1,2-dihydro-3-(((4-methoxyphenyl)methylamino)methyl)-2-methylpyrido(3,4-b)pyrazin-7-yl)carbamate
CID 135435
Carbamic acid, (5-amino-1,2-dihydro-3-(3-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150002
Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150003
ethyl N-[5-amino-3-[(4-methoxy-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 320742
ethyl N-[5-amino-3-(3-methoxyphenyl)-2H-pyrido[4,3-b][1,4]oxazin-7-yl]carbamate
CID 459853
benzyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 459874

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The IUPAC name of ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (CID 19906255) is ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
What is the SMILES notation for ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The canonical SMILES for ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OCc3ccccc3)cc1)C(C)N2.
What is the InChIKey of ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The InChIKey is CATINXDHZCVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-31-24(30)28-20-13-19-22(23(25)27-20)29-21(15(2)26-19)17-9-11-18(12-10-17)32-14-16-7-5-4-6-8-16/h4-13,15,26H,3,14H2,1-2H3,(H3,25,27,28,30).
What are the key properties of ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate has a molecular weight of 431.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-amino-2-methyl-3-(4-phenylmethoxyphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is sourced from PubChem (CID 19906255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).