1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea

C17H21N7O3 — CID 66556950

IUPAC1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cnn(CCOCCO)c3)nc2n1
InChIInChI=1S/C17H21N7O3/c1-2-18-17(26)23-15-4-3-13-16(22-15)21-14(10-19-13)12-9-20-24(11-12)5-7-27-8-6-25/h3-4,9-11,25H,2,5-8H2,1H3,(H2,18,21,22,23,26)
InChIKeyMXKRLKWRXKYXHO-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.04
Rot. Bonds8

About 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 66556950) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID66556950
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cnn(CCOCCO)c3)nc2n1
InChIInChI=1S/C17H21N7O3/c1-2-18-17(26)23-15-4-3-13-16(22-15)21-14(10-19-13)12-9-20-24(11-12)5-7-27-8-6-25/h3-4,9-11,25H,2,5-8H2,1H3,(H2,18,21,22,23,26)
InChIKeyMXKRLKWRXKYXHO-UHFFFAOYSA-N
XLogP1.04
TPSA127.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea (CID 66556950) is 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3cnn(CCOCCO)c3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is MXKRLKWRXKYXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-2-18-17(26)23-15-4-3-13-16(22-15)21-14(10-19-13)12-9-20-24(11-12)5-7-27-8-6-25/h3-4,9-11,25H,2,5-8H2,1H3,(H2,18,21,22,23,26).
What are the key properties of 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 371.40 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[1-[2-(2-hydroxyethoxy)ethyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 66556950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).