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

C25H31N5O4 — CID 71110425

IUPAC2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESCOc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2n1
InChIInChI=1S/C25H31N5O4/c1-33-22-9-7-20-25(28-22)29-24(27-20)17-4-8-21(26-15-17)30-12-10-19(11-13-30)34-18-5-2-16(3-6-18)14-23(31)32/h4,7-9,15-16,18-19H,2-3,5-6,10-14H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyPOVCVIYMBNLYDZ-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.05
Rot. Bonds7

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

2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (PubChem CID 71110425) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
PubChem CID71110425
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESCOc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2n1
InChIInChI=1S/C25H31N5O4/c1-33-22-9-7-20-25(28-22)29-24(27-20)17-4-8-21(26-15-17)30-12-10-19(11-13-30)34-18-5-2-16(3-6-18)14-23(31)32/h4,7-9,15-16,18-19H,2-3,5-6,10-14H2,1H3,(H,31,32)(H,27,28,29)
InChIKeyPOVCVIYMBNLYDZ-UHFFFAOYSA-N
XLogP4.05
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[5-(5-methoxy-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-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (CID 71110425) is 2-[4-[1-[5-(5-methoxy-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-methoxy-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-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is COc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(CC(=O)O)CC5)CC4)nc3)nc2n1.
What is the InChIKey of 2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The InChIKey is POVCVIYMBNLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-33-22-9-7-20-25(28-22)29-24(27-20)17-4-8-21(26-15-17)30-12-10-19(11-13-30)34-18-5-2-16(3-6-18)14-23(31)32/h4,7-9,15-16,18-19H,2-3,5-6,10-14H2,1H3,(H,31,32)(H,27,28,29).
What are the key properties of 2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid has a molecular weight of 465.55 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 71110425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).