1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea

C20H21ClN6O2 — CID 55695181

IUPAC1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1-n1cccn1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H21ClN6O2/c21-16-4-5-18(26-9-11-29-12-10-26)17(13-16)25-20(28)23-14-15-3-1-6-22-19(15)27-8-2-7-24-27/h1-8,13H,9-12,14H2,(H2,23,25,28)
InChIKeyGJHLLEVZODVUEG-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.08
Rot. Bonds5

About 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea

1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 55695181) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID55695181
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1-n1cccn1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H21ClN6O2/c21-16-4-5-18(26-9-11-29-12-10-26)17(13-16)25-20(28)23-14-15-3-1-6-22-19(15)27-8-2-7-24-27/h1-8,13H,9-12,14H2,(H2,23,25,28)
InChIKeyGJHLLEVZODVUEG-UHFFFAOYSA-N
XLogP3.08
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033847
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47033881
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 37489406
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55696239

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea (CID 55695181) is 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1cccnc1-n1cccn1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is GJHLLEVZODVUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-16-4-5-18(26-9-11-29-12-10-26)17(13-16)25-20(28)23-14-15-3-1-6-22-19(15)27-8-2-7-24-27/h1-8,13H,9-12,14H2,(H2,23,25,28).
What are the key properties of 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea?
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 412.88 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).