7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine

C20H24N4O — CID 170034840

IUPAC7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cc(C)c(O[C@H]2CCCNC2)c(-c2ccnc3nc(C)[nH]c23)c1
InChIInChI=1S/C20H24N4O/c1-12-9-13(2)19(25-15-5-4-7-21-11-15)17(10-12)16-6-8-22-20-18(16)23-14(3)24-20/h6,8-10,15,21H,4-5,7,11H2,1-3H3,(H,22,23,24)/t15-/m0/s1
InChIKeyVUFOYOIKGZMBCP-HNNXBMFYSA-N
MW336.44 g/mol
LogP3.68
Rot. Bonds3

About 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine

7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 170034840) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID170034840
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cc(C)c(O[C@H]2CCCNC2)c(-c2ccnc3nc(C)[nH]c23)c1
InChIInChI=1S/C20H24N4O/c1-12-9-13(2)19(25-15-5-4-7-21-11-15)17(10-12)16-6-8-22-20-18(16)23-14(3)24-20/h6,8-10,15,21H,4-5,7,11H2,1-3H3,(H,22,23,24)/t15-/m0/s1
InChIKeyVUFOYOIKGZMBCP-HNNXBMFYSA-N
XLogP3.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine (CID 170034840) is 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine is Cc1cc(C)c(O[C@H]2CCCNC2)c(-c2ccnc3nc(C)[nH]c23)c1.
What is the InChIKey of 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VUFOYOIKGZMBCP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12-9-13(2)19(25-15-5-4-7-21-11-15)17(10-12)16-6-8-22-20-18(16)23-14(3)24-20/h6,8-10,15,21H,4-5,7,11H2,1-3H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 336.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-dimethyl-2-[(3S)-piperidin-3-yl]oxyphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 170034840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).