2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

C24H28ClN5O3 — CID 71110421

IUPAC2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C24H28ClN5O3/c25-17-12-20-24(27-14-17)29-23(28-20)16-3-6-21(26-13-16)30-9-7-19(8-10-30)33-18-4-1-15(2-5-18)11-22(31)32/h3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,31,32)(H,27,28,29)
InChIKeyVCTLNWGYUYKZTJ-UHFFFAOYSA-N
MW469.97 g/mol
LogP4.69
Rot. Bonds6

About 2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (PubChem CID 71110421) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
PubChem CID71110421
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C24H28ClN5O3/c25-17-12-20-24(27-14-17)29-23(28-20)16-3-6-21(26-13-16)30-9-7-19(8-10-30)33-18-4-1-15(2-5-18)11-22(31)32/h3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,31,32)(H,27,28,29)
InChIKeyVCTLNWGYUYKZTJ-UHFFFAOYSA-N
XLogP4.69
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 54.69
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-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (CID 71110421) is 2-[4-[1-[5-(6-chloro-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-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The InChIKey is VCTLNWGYUYKZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c25-17-12-20-24(27-14-17)29-23(28-20)16-3-6-21(26-13-16)30-9-7-19(8-10-30)33-18-4-1-15(2-5-18)11-22(31)32/h3,6,12-15,18-19H,1-2,4-5,7-11H2,(H,31,32)(H,27,28,29).
What are the key properties of 2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
2-[4-[1-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid has a molecular weight of 469.97 g/mol, XLogP of 4.69, 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-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 71110421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).