1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea

C31H43N5O3 — CID 71575562

IUPAC1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea
SMILESCOc1cc(-c2nc3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C31H43N5O3/c1-22-14-17-28-35-29(30(36(28)21-22)33-24-10-5-3-6-11-24)23-15-16-26(27(20-23)38-2)39-19-9-18-32-31(37)34-25-12-7-4-8-13-25/h14-17,20-21,24-25,33H,3-13,18-19H2,1-2H3,(H2,32,34,37)
InChIKeyHTIDKVUWWFFRRM-UHFFFAOYSA-N
MW533.72 g/mol
LogP6.46
Rot. Bonds10

About 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea

1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea (PubChem CID 71575562) has the molecular formula C31H43N5O3 and a molecular weight of 533.72 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea
PubChem CID71575562
Molecular FormulaC31H43N5O3
Molecular Weight533.72 g/mol
Exact Mass533.34
IUPAC Name1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea
SMILESCOc1cc(-c2nc3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C31H43N5O3/c1-22-14-17-28-35-29(30(36(28)21-22)33-24-10-5-3-6-11-24)23-15-16-26(27(20-23)38-2)39-19-9-18-32-31(37)34-25-12-7-4-8-13-25/h14-17,20-21,24-25,33H,3-13,18-19H2,1-2H3,(H2,32,34,37)
InChIKeyHTIDKVUWWFFRRM-UHFFFAOYSA-N
XLogP6.46
TPSA88.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea (CID 71575562) is 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea is COc1cc(-c2nc3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea?
The InChIKey is HTIDKVUWWFFRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O3/c1-22-14-17-28-35-29(30(36(28)21-22)33-24-10-5-3-6-11-24)23-15-16-26(27(20-23)38-2)39-19-9-18-32-31(37)34-25-12-7-4-8-13-25/h14-17,20-21,24-25,33H,3-13,18-19H2,1-2H3,(H2,32,34,37).
What are the key properties of 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea?
1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea has a molecular weight of 533.72 g/mol, XLogP of 6.46, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]urea is sourced from PubChem (CID 71575562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).