1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

C18H26N6O2 — CID 97281829

IUPAC1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NC[C@H](c1ccncc1)N1CCOCC1
InChIInChI=1S/C18H26N6O2/c1-14(2)24-17(5-8-21-24)22-18(25)20-13-16(15-3-6-19-7-4-15)23-9-11-26-12-10-23/h3-8,14,16H,9-13H2,1-2H3,(H2,20,22,25)/t16-/m1/s1
InChIKeyKWJPQZVFZFDWOG-MRXNPFEDSA-N
MW358.45 g/mol
LogP2.05
Rot. Bonds6

About 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 97281829) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID97281829
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NC[C@H](c1ccncc1)N1CCOCC1
InChIInChI=1S/C18H26N6O2/c1-14(2)24-17(5-8-21-24)22-18(25)20-13-16(15-3-6-19-7-4-15)23-9-11-26-12-10-23/h3-8,14,16H,9-13H2,1-2H3,(H2,20,22,25)/t16-/m1/s1
InChIKeyKWJPQZVFZFDWOG-MRXNPFEDSA-N
XLogP2.05
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 97270503
2,3-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647352
2,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647353
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
2-cyclohexyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]acetamide
CID 99927953
2,6-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95127691
N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-2-thiophen-3-ylacetamide
CID 99927845
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
1-(2-morpholin-4-ylethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97283704
1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
CID 72924199

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 97281829) is 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is CC(C)n1nccc1NC(=O)NC[C@H](c1ccncc1)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is KWJPQZVFZFDWOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-14(2)24-17(5-8-21-24)22-18(25)20-13-16(15-3-6-19-7-4-15)23-9-11-26-12-10-23/h3-8,14,16H,9-13H2,1-2H3,(H2,20,22,25)/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 358.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 97281829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).