1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

C14H14N6S — CID 158662977

IUPAC1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCCNC(=S)Nc1ccc2ncc(C3=NC=CC3)nc2n1
InChIInChI=1S/C14H14N6S/c1-2-15-14(21)20-12-6-5-10-13(19-12)18-11(8-17-10)9-4-3-7-16-9/h3,5-8H,2,4H2,1H3,(H2,15,18,19,20,21)
InChIKeyICZKKSXDSRJOJE-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.04
Rot. Bonds3

About 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 158662977) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID158662977
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCCNC(=S)Nc1ccc2ncc(C3=NC=CC3)nc2n1
InChIInChI=1S/C14H14N6S/c1-2-15-14(21)20-12-6-5-10-13(19-12)18-11(8-17-10)9-4-3-7-16-9/h3,5-8H,2,4H2,1H3,(H2,15,18,19,20,21)
InChIKeyICZKKSXDSRJOJE-UHFFFAOYSA-N
XLogP2.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 152976724
3-[4-[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]propanamide
CID 88993990
1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993879
N-[4-[[4-[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]methyl]phenyl]methanimine oxide
CID 163437076
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)thiourea
CID 143503970
1-ethyl-3-[3-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993956
1-[6-(2-acetyl-2,3-dihydrothiophen-5-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
CID 88544324
1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993939
1-[6-[4-(2-aminopropan-2-yl)anilino]pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
CID 89224557
1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88994439
1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993922
1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 88994067

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 158662977) is 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is CCNC(=S)Nc1ccc2ncc(C3=NC=CC3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is ICZKKSXDSRJOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c1-2-15-14(21)20-12-6-5-10-13(19-12)18-11(8-17-10)9-4-3-7-16-9/h3,5-8H,2,4H2,1H3,(H2,15,18,19,20,21).
What are the key properties of 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 298.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 158662977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).