2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

C18H16FN5OS — CID 160505480

IUPAC2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESCc1ncc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)s3)ccc1N)C2
InChIInChI=1S/C18H16FN5OS/c1-10-21-7-11-8-24(9-15(11)22-10)18(25)6-14-12(20)2-3-13(23-14)16-4-5-17(19)26-16/h2-5,7H,6,8-9,20H2,1H3
InChIKeyQSIMCYUKPZRDDJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (PubChem CID 160505480) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
PubChem CID160505480
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESCc1ncc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)s3)ccc1N)C2
InChIInChI=1S/C18H16FN5OS/c1-10-21-7-11-8-24(9-15(11)22-10)18(25)6-14-12(20)2-3-13(23-14)16-4-5-17(19)26-16/h2-5,7H,6,8-9,20H2,1H3
InChIKeyQSIMCYUKPZRDDJ-UHFFFAOYSA-N
XLogP2.71
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
{2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-pyrrolidin-1-yl-methanone
CID 25231168
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 122445528
1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 137638641
6-(3,5-Difluorophenyl)-2-(ethylamino)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233096
6-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233264
6-(4-Fluorophenyl)-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233428

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (CID 160505480) is 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is Cc1ncc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)s3)ccc1N)C2.
What is the InChIKey of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The InChIKey is QSIMCYUKPZRDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-10-21-7-11-8-24(9-15(11)22-10)18(25)6-14-12(20)2-3-13(23-14)16-4-5-17(19)26-16/h2-5,7H,6,8-9,20H2,1H3.
What are the key properties of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone has a molecular weight of 369.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 160505480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).