1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea

C23H23Cl2N5O3 — CID 165040043

IUPAC1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
SMILESCOc1cc(Oc2ccnc(N3CCC(NC(=O)Nc4cccnc4)CC3)c2Cl)ccc1Cl
InChIInChI=1S/C23H23Cl2N5O3/c1-32-20-13-17(4-5-18(20)24)33-19-6-10-27-22(21(19)25)30-11-7-15(8-12-30)28-23(31)29-16-3-2-9-26-14-16/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H2,28,29,31)
InChIKeyZKDOKZNWVWWFFI-UHFFFAOYSA-N
MW488.38 g/mol
LogP5.37
Rot. Bonds6

About 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea

1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea (PubChem CID 165040043) has the molecular formula C23H23Cl2N5O3 and a molecular weight of 488.38 g/mol. Its IUPAC name is 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
PubChem CID165040043
Molecular FormulaC23H23Cl2N5O3
Molecular Weight488.38 g/mol
Exact Mass487.12
IUPAC Name1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
SMILESCOc1cc(Oc2ccnc(N3CCC(NC(=O)Nc4cccnc4)CC3)c2Cl)ccc1Cl
InChIInChI=1S/C23H23Cl2N5O3/c1-32-20-13-17(4-5-18(20)24)33-19-6-10-27-22(21(19)25)30-11-7-15(8-12-30)28-23(31)29-16-3-2-9-26-14-16/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H2,28,29,31)
InChIKeyZKDOKZNWVWWFFI-UHFFFAOYSA-N
XLogP5.37
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.38
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

1-[1-[3-chloro-4-(3-chloro-4-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950691
1-[1-[3-chloro-4-(4-methoxy-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950694
1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 134813658
1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950692
1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
CID 166663592
1-[1-[3-methyl-4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 159407189
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-[1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 155523807
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea (CID 165040043) is 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea is COc1cc(Oc2ccnc(N3CCC(NC(=O)Nc4cccnc4)CC3)c2Cl)ccc1Cl.
What is the InChIKey of 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is ZKDOKZNWVWWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O3/c1-32-20-13-17(4-5-18(20)24)33-19-6-10-27-22(21(19)25)30-11-7-15(8-12-30)28-23(31)29-16-3-2-9-26-14-16/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H2,28,29,31).
What are the key properties of 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea?
1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 488.38 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 165040043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).