1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea

C17H14FN5O — CID 140514499

IUPAC1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C17H14FN5O/c1-2-9-19-17(24)23-15-8-7-13-16(22-15)20-10-14(21-13)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2,(H2,19,20,22,23,24)
InChIKeyCVMKZWIOMGBZHK-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea

1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea (PubChem CID 140514499) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
PubChem CID140514499
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C17H14FN5O/c1-2-9-19-17(24)23-15-8-7-13-16(22-15)20-10-14(21-13)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2,(H2,19,20,22,23,24)
InChIKeyCVMKZWIOMGBZHK-UHFFFAOYSA-N
XLogP3.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
CID 108887387
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-[3-[5-[ethoxy(methoxy)methyl]furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea
CID 88994158
1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea
CID 86011890
1-[3-(4-nitrophenyl)pyrido[2,3-b]pyrazin-7-yl]-3-prop-2-enylthiourea
CID 11222330
1-[3-(2,3-dihydro-1H-indol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 143504000
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
CID 16727156
1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 11233010
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1-[(2-fluorophenyl)methyl]-3-[6-(4-fluorophenyl)-2-pyridinyl]urea
CID 11566276
1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 141348291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea (CID 140514499) is 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cnc2n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
The InChIKey is CVMKZWIOMGBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-2-9-19-17(24)23-15-8-7-13-16(22-15)20-10-14(21-13)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2,(H2,19,20,22,23,24).
What are the key properties of 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea?
1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea has a molecular weight of 323.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea is sourced from PubChem (CID 140514499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).