ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate

C19H19N5O3S — CID 70814998

IUPACethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc3ccc(NC(=O)NCC4CC4)nc3n2)cs1
InChIInChI=1S/C19H19N5O3S/c1-2-27-18(25)15-7-12(10-28-15)14-9-20-13-5-6-16(23-17(13)22-14)24-19(26)21-8-11-3-4-11/h5-7,9-11H,2-4,8H2,1H3,(H2,21,22,23,24,26)
InChIKeyRIRHJEGWESBFDC-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.46
Rot. Bonds6

About ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate

ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate (PubChem CID 70814998) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
PubChem CID70814998
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Nameethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc3ccc(NC(=O)NCC4CC4)nc3n2)cs1
InChIInChI=1S/C19H19N5O3S/c1-2-27-18(25)15-7-12(10-28-15)14-9-20-13-5-6-16(23-17(13)22-14)24-19(26)21-8-11-3-4-11/h5-7,9-11H,2-4,8H2,1H3,(H2,21,22,23,24,26)
InChIKeyRIRHJEGWESBFDC-UHFFFAOYSA-N
XLogP3.46
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-(3-{3-[(thiophen-2-YL)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}propanamido)benzoate
CID 16009266
Ethyl 3-(3-{3-[(thiophen-2-YL)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}propanamido)benzoate
CID 20867609
methyl 4-({3-[3-(2-thienylmethyl)-3H-imidazo[4,5-b]pyridin-2-yl]propanoyl}amino)benzoate
CID 20867660
Methyl 5-[3-(2,4-diaminopteridin-6-yl)-1-methoxy-1-oxopropan-2-yl]thiophene-2-carboxylate
CID 10524315
ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate
CID 24865061
pyridin-3-ylmethyl N-[[4-[(3-amino-6-thiophen-2-yl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25152885
Ethyl 5-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylate
CID 57752725
Tert-butyl 3-[8-amino-5-(4-ethoxycarbonylthiophen-2-yl)imidazo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate
CID 57752742
Ethyl 4-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
CID 57946972
Ethyl 4-[[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
CID 57947102
Ethyl 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoate
CID 57947182
Ethyl 3-[6-(4-phenylbutylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoate
CID 66558708

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The IUPAC name of ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate (CID 70814998) is ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate is CCOC(=O)c1cc(-c2cnc3ccc(NC(=O)NCC4CC4)nc3n2)cs1.
What is the InChIKey of ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The InChIKey is RIRHJEGWESBFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-2-27-18(25)15-7-12(10-28-15)14-9-20-13-5-6-16(23-17(13)22-14)24-19(26)21-8-11-3-4-11/h5-7,9-11H,2-4,8H2,1H3,(H2,21,22,23,24,26).
What are the key properties of ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate has a molecular weight of 397.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(cyclopropylmethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate is sourced from PubChem (CID 70814998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).