3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide

C24H27N7O3 — CID 86270406

IUPAC3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCCCC5)C4=O)nc3)ccn2)cn1
InChIInChI=1S/C24H27N7O3/c1-29-16-17(14-27-29)21-13-19(9-10-25-21)34-20-7-8-22(26-15-20)28-23(32)31-12-11-30(24(31)33)18-5-3-2-4-6-18/h7-10,13-16,18H,2-6,11-12H2,1H3,(H,26,28,32)
InChIKeyKFDMABXQUQMQTQ-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.27
Rot. Bonds5

About 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide

3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 86270406) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID86270406
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCCCC5)C4=O)nc3)ccn2)cn1
InChIInChI=1S/C24H27N7O3/c1-29-16-17(14-27-29)21-13-19(9-10-25-21)34-20-7-8-22(26-15-20)28-23(32)31-12-11-30(24(31)33)18-5-3-2-4-6-18/h7-10,13-16,18H,2-6,11-12H2,1H3,(H,26,28,32)
InChIKeyKFDMABXQUQMQTQ-UHFFFAOYSA-N
XLogP4.27
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide (CID 86270406) is 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCCCC5)C4=O)nc3)ccn2)cn1.
What is the InChIKey of 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is KFDMABXQUQMQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-29-16-17(14-27-29)21-13-19(9-10-25-21)34-20-7-8-22(26-15-20)28-23(32)31-12-11-30(24(31)33)18-5-3-2-4-6-18/h7-10,13-16,18H,2-6,11-12H2,1H3,(H,26,28,32).
What are the key properties of 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide?
3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 86270406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).