2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

C25H31N5O3 — CID 71110422

IUPAC2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESCc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2n1
InChIInChI=1S/C25H31N5O3/c1-16-2-8-21-25(27-16)29-24(28-21)18-5-9-22(26-15-18)30-12-10-20(11-13-30)33-19-6-3-17(4-7-19)14-23(31)32/h2,5,8-9,15,17,19-20H,3-4,6-7,10-14H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyRHXMJSGOEHEACU-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.35
Rot. Bonds6

About 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (PubChem CID 71110422) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
PubChem CID71110422
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESCc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2n1
InChIInChI=1S/C25H31N5O3/c1-16-2-8-21-25(27-16)29-24(28-21)18-5-9-22(26-15-18)30-12-10-20(11-13-30)33-19-6-3-17(4-7-19)14-23(31)32/h2,5,8-9,15,17,19-20H,3-4,6-7,10-14H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyRHXMJSGOEHEACU-UHFFFAOYSA-N
XLogP4.35
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (CID 71110422) is 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is Cc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2n1.
What is the InChIKey of 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The InChIKey is RHXMJSGOEHEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-16-2-8-21-25(27-16)29-24(28-21)18-5-9-22(26-15-18)30-12-10-20(11-13-30)33-19-6-3-17(4-7-19)14-23(31)32/h2,5,8-9,15,17,19-20H,3-4,6-7,10-14H2,1H3,(H,31,32)(H,27,28,29).
What are the key properties of 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid has a molecular weight of 449.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 71110422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).