3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one

C19H19N3O3S — CID 68808267

IUPAC3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one
SMILESNc1c(C(=O)N2CCCC2CO)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C19H19N3O3S/c20-16-14-8-9-15(24)22(12-5-2-1-3-6-12)19(14)26-17(16)18(25)21-10-4-7-13(21)11-23/h1-3,5-6,8-9,13,23H,4,7,10-11,20H2
InChIKeyXQKVRHKRGSDKSQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one

3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one (PubChem CID 68808267) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one
PubChem CID68808267
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one
SMILESNc1c(C(=O)N2CCCC2CO)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C19H19N3O3S/c20-16-14-8-9-15(24)22(12-5-2-1-3-6-12)19(14)26-17(16)18(25)21-10-4-7-13(21)11-23/h1-3,5-6,8-9,13,23H,4,7,10-11,20H2
InChIKeyXQKVRHKRGSDKSQ-UHFFFAOYSA-N
XLogP2.23
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 141082039
2-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(3-methylanilino)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 66970907
(3-amino-5-bromo-1-benzothiophen-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114896482
(3-amino-4-fluoro-1-benzothiophen-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79512170
(3-chloro-1-benzothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261276
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(hydroxymethyl)piperidin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 43421254
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94600348
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
(3-bromothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261291

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one (CID 68808267) is 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one is Nc1c(C(=O)N2CCCC2CO)sc2c1ccc(=O)n2-c1ccccc1.
What is the InChIKey of 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one?
The InChIKey is XQKVRHKRGSDKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-16-14-8-9-15(24)22(12-5-2-1-3-6-12)19(14)26-17(16)18(25)21-10-4-7-13(21)11-23/h1-3,5-6,8-9,13,23H,4,7,10-11,20H2.
What are the key properties of 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one?
3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one has a molecular weight of 369.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 68808267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).