2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone

C19H18FN5OS — CID 157341143

IUPAC2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
SMILESNc1ccc(-c2ccc(F)s2)nc1CC(=O)N1CCC(c2ncccn2)C1
InChIInChI=1S/C19H18FN5OS/c20-17-5-4-16(27-17)14-3-2-13(21)15(24-14)10-18(26)25-9-6-12(11-25)19-22-7-1-8-23-19/h1-5,7-8,12H,6,9-11,21H2
InChIKeyBGKIVZWPKPYFEG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.88
Rot. Bonds4

About 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone

2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 157341143) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID157341143
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone
SMILESNc1ccc(-c2ccc(F)s2)nc1CC(=O)N1CCC(c2ncccn2)C1
InChIInChI=1S/C19H18FN5OS/c20-17-5-4-16(27-17)14-3-2-13(21)15(24-14)10-18(26)25-9-6-12(11-25)19-22-7-1-8-23-19/h1-5,7-8,12H,6,9-11,21H2
InChIKeyBGKIVZWPKPYFEG-UHFFFAOYSA-N
XLogP2.88
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone with MolForge

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Related Compounds

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
1-[4-[2-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 44171242
N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 135234256
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyridin-2-ylthiophen-3-yl)methanone
CID 138624408
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]methanone
CID 142540044
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]methanone
CID 153637817
US11685744, Example 59
CID 164709873
US11685744, Example 95
CID 164709938
US11685744, Example 61
CID 168474652
US11685744, Example 76
CID 168474659
US11685744, Example 78
CID 168474661

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone (CID 157341143) is 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone is Nc1ccc(-c2ccc(F)s2)nc1CC(=O)N1CCC(c2ncccn2)C1.
What is the InChIKey of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is BGKIVZWPKPYFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-17-5-4-16(27-17)14-3-2-13(21)15(24-14)10-18(26)25-9-6-12(11-25)19-22-7-1-8-23-19/h1-5,7-8,12H,6,9-11,21H2.
What are the key properties of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone?
2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 383.45 g/mol, XLogP of 2.88, 4 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-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 157341143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).