5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid

C18H17N5O3S — CID 70815017

IUPAC5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc2ncc(-c3ccc(C(=O)O)s3)nc2n1)NC1CCCC1
InChIInChI=1S/C18H17N5O3S/c24-17(25)14-7-6-13(27-14)12-9-19-11-5-8-15(22-16(11)21-12)23-18(26)20-10-3-1-2-4-10/h5-10H,1-4H2,(H,24,25)(H2,20,21,22,23,26)
InChIKeyYMKQMTGJFMDKCE-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.52
Rot. Bonds4

About 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid

5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid (PubChem CID 70815017) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
PubChem CID70815017
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc2ncc(-c3ccc(C(=O)O)s3)nc2n1)NC1CCCC1
InChIInChI=1S/C18H17N5O3S/c24-17(25)14-7-6-13(27-14)12-9-19-11-5-8-15(22-16(11)21-12)23-18(26)20-10-3-1-2-4-10/h5-10H,1-4H2,(H,24,25)(H2,20,21,22,23,26)
InChIKeyYMKQMTGJFMDKCE-UHFFFAOYSA-N
XLogP3.52
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815080
1-cyclopropyl-3-[3-(5-methylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814979
[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 123875970
1-cyclopentyl-3-pyrido[2,3-d]pyrimidin-7-ylurea
CID 141037409
1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 88995559
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994185
1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994120
1-cyclopentyl-3-[7-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,5-naphthyridin-2-yl]urea
CID 90164320
1-cyclopentyl-3-[7-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164218
1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 141348291
tert-butyl 4-[6-(cyclopentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylate
CID 88993908

Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid (CID 70815017) is 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid is O=C(Nc1ccc2ncc(-c3ccc(C(=O)O)s3)nc2n1)NC1CCCC1.
What is the InChIKey of 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is YMKQMTGJFMDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-17(25)14-7-6-13(27-14)12-9-19-11-5-8-15(22-16(11)21-12)23-18(26)20-10-3-1-2-4-10/h5-10H,1-4H2,(H,24,25)(H2,20,21,22,23,26).
What are the key properties of 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 383.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70815017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).