(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C17H22N4O2 — CID 95605710

IUPAC(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-23-16-7-6-14(10-18-16)17(22)21-8-4-5-15(21)12-20-11-13(2)9-19-20/h6-7,9-11,15H,3-5,8,12H2,1-2H3/t15-/m1/s1
InChIKeySHDKVCKUDMSJJO-OAHLLOKOSA-N
MW314.39 g/mol
LogP2.29
Rot. Bonds5

About (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95605710) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95605710
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cn1
InChIInChI=1S/C17H22N4O2/c1-3-23-16-7-6-14(10-18-16)17(22)21-8-4-5-15(21)12-20-11-13(2)9-19-20/h6-7,9-11,15H,3-5,8,12H2,1-2H3/t15-/m1/s1
InChIKeySHDKVCKUDMSJJO-OAHLLOKOSA-N
XLogP2.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347058
[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603215
N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 95603465
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 95605719
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 129370169
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95605722
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95605710) is (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is SHDKVCKUDMSJJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-23-16-7-6-14(10-18-16)17(22)21-8-4-5-15(21)12-20-11-13(2)9-19-20/h6-7,9-11,15H,3-5,8,12H2,1-2H3/t15-/m1/s1.
What are the key properties of (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95605710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).