[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone

C17H23N5O — CID 95112578

IUPAC[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCn1c([C@H]2CCN(C(=O)[C@H]3CCCNC3)C2)nc2ccncc21
InChIInChI=1S/C17H23N5O/c1-21-15-10-19-7-4-14(15)20-16(21)13-5-8-22(11-13)17(23)12-3-2-6-18-9-12/h4,7,10,12-13,18H,2-3,5-6,8-9,11H2,1H3/t12-,13-/m0/s1
InChIKeyBMVTYPRIORCKCO-STQMWFEESA-N
MW313.40 g/mol
LogP1.28
Rot. Bonds2

About [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone

[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone (PubChem CID 95112578) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
PubChem CID95112578
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCn1c([C@H]2CCN(C(=O)[C@H]3CCCNC3)C2)nc2ccncc21
InChIInChI=1S/C17H23N5O/c1-21-15-10-19-7-4-14(15)20-16(21)13-5-8-22(11-13)17(23)12-3-2-6-18-9-12/h4,7,10,12-13,18H,2-3,5-6,8-9,11H2,1H3/t12-,13-/m0/s1
InChIKeyBMVTYPRIORCKCO-STQMWFEESA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275831
(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429352
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 83275829
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
ethyl 2-[1-[[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 95112604

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone (CID 95112578) is [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone is Cn1c([C@H]2CCN(C(=O)[C@H]3CCCNC3)C2)nc2ccncc21.
What is the InChIKey of [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
The InChIKey is BMVTYPRIORCKCO-STQMWFEESA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-15-10-19-7-4-14(15)20-16(21)13-5-8-22(11-13)17(23)12-3-2-6-18-9-12/h4,7,10,12-13,18H,2-3,5-6,8-9,11H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone?
[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 95112578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).