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

C14H13N7S — CID 88994120

IUPAC1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESS=C(Nc1ccc2ncc(-c3ncc[nH]3)nc2n1)NC1CC1
InChIInChI=1S/C14H13N7S/c22-14(18-8-1-2-8)21-11-4-3-9-13(20-11)19-10(7-17-9)12-15-5-6-16-12/h3-8H,1-2H2,(H,15,16)(H2,18,19,20,21,22)
InChIKeyZAAVPNJSPFFFRD-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.86
Rot. Bonds3

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

1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 88994120) has the molecular formula C14H13N7S and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID88994120
Molecular FormulaC14H13N7S
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESS=C(Nc1ccc2ncc(-c3ncc[nH]3)nc2n1)NC1CC1
InChIInChI=1S/C14H13N7S/c22-14(18-8-1-2-8)21-11-4-3-9-13(20-11)19-10(7-17-9)12-15-5-6-16-12/h3-8H,1-2H2,(H,15,16)(H2,18,19,20,21,22)
InChIKeyZAAVPNJSPFFFRD-UHFFFAOYSA-N
XLogP1.86
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994072
1-cyclopropyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994029
1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994185
tert-butyl 4-[6-(cyclopentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylate
CID 88993908
1-cyclopropyl-3-[3-(5-methylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70814979
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 70815017
1-cyclopentyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815080
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
1-[3-[5-(hydroxymethyl)thiophen-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 88994375
1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 11233010
1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 88994067
1-(5-bromo-2-pyridinyl)-3-cyclohexylthiourea
CID 19686352

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 88994120) is 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is S=C(Nc1ccc2ncc(-c3ncc[nH]3)nc2n1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is ZAAVPNJSPFFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7S/c22-14(18-8-1-2-8)21-11-4-3-9-13(20-11)19-10(7-17-9)12-15-5-6-16-12/h3-8H,1-2H2,(H,15,16)(H2,18,19,20,21,22).
What are the key properties of 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 311.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(1H-imidazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 88994120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).