6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine

C21H27N5 — CID 146284930

IUPAC6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cc(C[C@@H]2CCN(C(C)c3cnc4nc(C)[nH]c4c3)C2)cc(C)n1
InChIInChI=1S/C21H27N5/c1-13-7-18(8-14(2)23-13)9-17-5-6-26(12-17)15(3)19-10-20-21(22-11-19)25-16(4)24-20/h7-8,10-11,15,17H,5-6,9,12H2,1-4H3,(H,22,24,25)/t15?,17-/m0/s1
InChIKeyUGORQTFGBCNLPW-LWKPJOBUSA-N
MW349.48 g/mol
LogP3.90
Rot. Bonds4

About 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine

6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 146284930) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID146284930
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cc(C[C@@H]2CCN(C(C)c3cnc4nc(C)[nH]c4c3)C2)cc(C)n1
InChIInChI=1S/C21H27N5/c1-13-7-18(8-14(2)23-13)9-17-5-6-26(12-17)15(3)19-10-20-21(22-11-19)25-16(4)24-20/h7-8,10-11,15,17H,5-6,9,12H2,1-4H3,(H,22,24,25)/t15?,17-/m0/s1
InChIKeyUGORQTFGBCNLPW-LWKPJOBUSA-N
XLogP3.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
7-[(1S)-1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 153376531
4-[[(3R)-1-[1-(5-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287848
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole
CID 153457562
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464302
N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 162468301
5-[(1R)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 146285034
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[1-[1-(3-ethoxy-1H-pyrazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146288089
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine (CID 146284930) is 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine is Cc1cc(C[C@@H]2CCN(C(C)c3cnc4nc(C)[nH]c4c3)C2)cc(C)n1.
What is the InChIKey of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is UGORQTFGBCNLPW-LWKPJOBUSA-N. The full InChI is InChI=1S/C21H27N5/c1-13-7-18(8-14(2)23-13)9-17-5-6-26(12-17)15(3)19-10-20-21(22-11-19)25-16(4)24-20/h7-8,10-11,15,17H,5-6,9,12H2,1-4H3,(H,22,24,25)/t15?,17-/m0/s1.
What are the key properties of 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine?
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 349.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 146284930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).