1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea

C21H24N6O2 — CID 47033847

IUPAC1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C21H24N6O2/c28-21(25-19-7-2-1-5-18(19)16-27-10-4-9-24-27)23-15-17-6-3-8-22-20(17)26-11-13-29-14-12-26/h1-10H,11-16H2,(H2,23,25,28)
InChIKeyGBSWEQBIWCYJEF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.48
Rot. Bonds6

About 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 47033847) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID47033847
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
SMILESO=C(NCc1cccnc1N1CCOCC1)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C21H24N6O2/c28-21(25-19-7-2-1-5-18(19)16-27-10-4-9-24-27)23-15-17-6-3-8-22-20(17)26-11-13-29-14-12-26/h1-10H,11-16H2,(H2,23,25,28)
InChIKeyGBSWEQBIWCYJEF-UHFFFAOYSA-N
XLogP2.48
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
1-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851311
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55695181
1-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 51945979
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47041898
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea (CID 47033847) is 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea is O=C(NCc1cccnc1N1CCOCC1)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is GBSWEQBIWCYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-21(25-19-7-2-1-5-18(19)16-27-10-4-9-24-27)23-15-17-6-3-8-22-20(17)26-11-13-29-14-12-26/h1-10H,11-16H2,(H2,23,25,28).
What are the key properties of 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea?
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 392.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 47033847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).