4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid

C16H13N5O3S — CID 70815003

IUPAC4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc2ncc(-c3csc(C(=O)O)c3)nc2n1)NC1CC1
InChIInChI=1S/C16H13N5O3S/c22-15(23)12-5-8(7-25-12)11-6-17-10-3-4-13(20-14(10)19-11)21-16(24)18-9-1-2-9/h3-7,9H,1-2H2,(H,22,23)(H2,18,19,20,21,24)
InChIKeySZRVIMQDYJQOAZ-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.74
Rot. Bonds4

About 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid

4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid (PubChem CID 70815003) has the molecular formula C16H13N5O3S and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
PubChem CID70815003
Molecular FormulaC16H13N5O3S
Molecular Weight355.38 g/mol
Exact Mass355.07
IUPAC Name4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc2ncc(-c3csc(C(=O)O)c3)nc2n1)NC1CC1
InChIInChI=1S/C16H13N5O3S/c22-15(23)12-5-8(7-25-12)11-6-17-10-3-4-13(20-14(10)19-11)21-16(24)18-9-1-2-9/h3-7,9H,1-2H2,(H,22,23)(H2,18,19,20,21,24)
InChIKeySZRVIMQDYJQOAZ-UHFFFAOYSA-N
XLogP2.74
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(Ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
CID 58881861
4-[5-amino-6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]thiophene-2-carboxylic acid
CID 72190139
4-[8-[3-Fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxylic acid
CID 123287594
5-[1-Carboxy-2-(2,4-diaminopteridin-6-yl)ethyl]thiophene-2-carboxylic acid
CID 10808456
3-(2,4-Diaminopteridin-6-yl)-5-ethylthiophene-2-carboxylic acid
CID 18961731
5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
CID 24864165
5-(8-Amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)thiophene-3-carboxylic acid
CID 57752728
5-[8-Amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
CID 57752731
4-[4-(3-Thienylamino)-1,3,5-triazin-2-yl]pyridine-2-carboxylic acid
CID 67365384
2-(Pyrazin-2-ylcarbamoylamino)-5-pyridin-2-ylthiophene-3-carboxylic acid
CID 69485709
2-(2-Pyridin-4-ylethylamino)-3-thiophen-2-ylquinoxaline-6-carboxylic acid
CID 69713872
Ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
CID 70814964

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid (CID 70815003) is 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid is O=C(Nc1ccc2ncc(-c3csc(C(=O)O)c3)nc2n1)NC1CC1.
What is the InChIKey of 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is SZRVIMQDYJQOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S/c22-15(23)12-5-8(7-25-12)11-6-17-10-3-4-13(20-14(10)19-11)21-16(24)18-9-1-2-9/h3-7,9H,1-2H2,(H,22,23)(H2,18,19,20,21,24).
What are the key properties of 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 355.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70815003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).