1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

C19H25N7S — CID 88993922

IUPAC1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3ccn(C(C)C)n3)nc2n1
InChIInChI=1S/C19H25N7S/c1-4-5-6-10-20-19(27)24-17-8-7-15-18(23-17)22-16(12-21-15)14-9-11-26(25-14)13(2)3/h7-9,11-13H,4-6,10H2,1-3H3,(H2,20,22,23,24,27)
InChIKeyXAAMTHSTTYBODT-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.95
Rot. Bonds7

About 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 88993922) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID88993922
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3ccn(C(C)C)n3)nc2n1
InChIInChI=1S/C19H25N7S/c1-4-5-6-10-20-19(27)24-17-8-7-15-18(23-17)22-16(12-21-15)14-9-11-26(25-14)13(2)3/h7-9,11-13H,4-6,10H2,1-3H3,(H2,20,22,23,24,27)
InChIKeyXAAMTHSTTYBODT-UHFFFAOYSA-N
XLogP3.95
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993879
1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993939
1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 152976724
1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88994439
1-(cyclopropylmethyl)-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815049
4-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 88994479
methyl 2-methyl-5-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]furan-3-carboxylate
CID 88994190
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
CID 88994416
3-[4-[6-(ethylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]propanamide
CID 88993990
1-[3-(6-chloro-2-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 88994067
1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88994072

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 88993922) is 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is CCCCCNC(=S)Nc1ccc2ncc(-c3ccn(C(C)C)n3)nc2n1.
What is the InChIKey of 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is XAAMTHSTTYBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-4-5-6-10-20-19(27)24-17-8-7-15-18(23-17)22-16(12-21-15)14-9-11-26(25-14)13(2)3/h7-9,11-13H,4-6,10H2,1-3H3,(H2,20,22,23,24,27).
What are the key properties of 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 383.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 88993922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).