1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea

C18H26N6O2 — CID 95053319

IUPAC1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
SMILESCC[C@H](C)NC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C18H26N6O2/c1-4-12(2)20-18(26)21-13-7-10-24(11-8-13)16-17(25)23(3)15-14(22-16)6-5-9-19-15/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H2,20,21,26)/t12-/m0/s1
InChIKeyZEMFZJBVOGAJEH-LBPRGKRZSA-N
MW358.45 g/mol
LogP1.39
Rot. Bonds4

About 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea

1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea (PubChem CID 95053319) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
PubChem CID95053319
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
SMILESCC[C@H](C)NC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C18H26N6O2/c1-4-12(2)20-18(26)21-13-7-10-24(11-8-13)16-17(25)23(3)15-14(22-16)6-5-9-19-15/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H2,20,21,26)/t12-/m0/s1
InChIKeyZEMFZJBVOGAJEH-LBPRGKRZSA-N
XLogP1.39
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021644
1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
CID 83272856
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 92869716
4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021494
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-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46324847
4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 50781233
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 53021717
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea (CID 95053319) is 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea is CC[C@H](C)NC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
The InChIKey is ZEMFZJBVOGAJEH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-4-12(2)20-18(26)21-13-7-10-24(11-8-13)16-17(25)23(3)15-14(22-16)6-5-9-19-15/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H2,20,21,26)/t12-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea has a molecular weight of 358.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 95053319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).