1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea

C19H26N6O2 — CID 83272856

IUPAC1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
SMILESC=CCn1c(=O)c(N2CCC(NC(=O)NC(C)C)CC2)nc2cccnc21
InChIInChI=1S/C19H26N6O2/c1-4-10-25-16-15(6-5-9-20-16)23-17(18(25)26)24-11-7-14(8-12-24)22-19(27)21-13(2)3/h4-6,9,13-14H,1,7-8,10-12H2,2-3H3,(H2,21,22,27)
InChIKeyNVAMXHUAVADHDJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.65
Rot. Bonds5

About 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea

1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 83272856) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
PubChem CID83272856
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
SMILESC=CCn1c(=O)c(N2CCC(NC(=O)NC(C)C)CC2)nc2cccnc21
InChIInChI=1S/C19H26N6O2/c1-4-10-25-16-15(6-5-9-20-16)23-17(18(25)26)24-11-7-14(8-12-24)22-19(27)21-13(2)3/h4-6,9,13-14H,1,7-8,10-12H2,2-3H3,(H2,21,22,27)
InChIKeyNVAMXHUAVADHDJ-UHFFFAOYSA-N
XLogP1.65
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021749
methyl 3-[[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]carbamoylamino]thiophene-2-carboxylate
CID 53021755
1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 95053319
1-tert-butyl-3-[1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl]urea
CID 83276797
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 53021717
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
CID 87050144
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
N-cyclooctyl-1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324894
1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021644
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-4-prop-2-enylpyrido[2,3-b]pyrazin-3-one
CID 53021568
(3S)-N-cyclooctyl-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869797

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea (CID 83272856) is 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea is C=CCn1c(=O)c(N2CCC(NC(=O)NC(C)C)CC2)nc2cccnc21.
What is the InChIKey of 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is NVAMXHUAVADHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-10-25-16-15(6-5-9-20-16)23-17(18(25)26)24-11-7-14(8-12-24)22-19(27)21-13(2)3/h4-6,9,13-14H,1,7-8,10-12H2,2-3H3,(H2,21,22,27).
What are the key properties of 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 370.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 83272856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).