N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide

C30H32ClFN6O3 — CID 167010049

IUPACN-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2c(c1)nc(CN1CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2CC1CCO1
InChIInChI=1S/C30H32ClFN6O3/c1-19(39)34-23-14-27-30(33-15-23)38(16-24-9-12-40-24)28(35-27)17-37-10-7-20(8-11-37)26-3-2-4-29(36-26)41-18-21-5-6-22(31)13-25(21)32/h2-6,13-15,20,24H,7-12,16-18H2,1H3,(H,34,39)
InChIKeyPIPYOELUSJZETE-UHFFFAOYSA-N
MW579.08 g/mol
LogP5.32
Rot. Bonds9

About N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide

N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide (PubChem CID 167010049) has the molecular formula C30H32ClFN6O3 and a molecular weight of 579.08 g/mol. Its IUPAC name is N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide
PubChem CID167010049
Molecular FormulaC30H32ClFN6O3
Molecular Weight579.08 g/mol
Exact Mass578.22
IUPAC NameN-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2c(c1)nc(CN1CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2CC1CCO1
InChIInChI=1S/C30H32ClFN6O3/c1-19(39)34-23-14-27-30(33-15-23)38(16-24-9-12-40-24)28(35-27)17-37-10-7-20(8-11-37)26-3-2-4-29(36-26)41-18-21-5-6-22(31)13-25(21)32/h2-6,13-15,20,24H,7-12,16-18H2,1H3,(H,34,39)
InChIKeyPIPYOELUSJZETE-UHFFFAOYSA-N
XLogP5.32
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.08
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide?
The IUPAC name of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide (CID 167010049) is N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide?
The canonical SMILES for N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide is CC(=O)Nc1cnc2c(c1)nc(CN1CCC(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2CC1CCO1.
What is the InChIKey of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide?
The InChIKey is PIPYOELUSJZETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN6O3/c1-19(39)34-23-14-27-30(33-15-23)38(16-24-9-12-40-24)28(35-27)17-37-10-7-20(8-11-37)26-3-2-4-29(36-26)41-18-21-5-6-22(31)13-25(21)32/h2-6,13-15,20,24H,7-12,16-18H2,1H3,(H,34,39).
What are the key properties of N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide?
N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide has a molecular weight of 579.08 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 167010049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).