2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C19H17F2N5OS — CID 159828705

IUPAC2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESNc1ccc(-c2ccc(F)s2)nc1CC(=O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C19H17F2N5OS/c20-12-8-23-19(24-9-12)11-5-6-26(10-11)18(27)7-15-13(22)1-2-14(25-15)16-3-4-17(21)28-16/h1-4,8-9,11H,5-7,10,22H2
InChIKeySJFTXQBFZJEXIY-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.02
Rot. Bonds4

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

2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 159828705) has the molecular formula C19H17F2N5OS and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID159828705
Molecular FormulaC19H17F2N5OS
Molecular Weight401.44 g/mol
Exact Mass401.11
IUPAC Name2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESNc1ccc(-c2ccc(F)s2)nc1CC(=O)N1CCC(c2ncc(F)cn2)C1
InChIInChI=1S/C19H17F2N5OS/c20-12-8-23-19(24-9-12)11-5-6-26(10-11)18(27)7-15-13(22)1-2-14(25-15)16-3-4-17(21)28-16/h1-4,8-9,11H,5-7,10,22H2
InChIKeySJFTXQBFZJEXIY-UHFFFAOYSA-N
XLogP3.02
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-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

6-(3,5-Difluorophenyl)-2-(ethylamino)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233096
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
US11685744, Example 61
CID 168474652
US11685744, Example 76
CID 168474659
US11685744, Example 78
CID 168474661
US11685744, Example 79
CID 168474662
US11685744, Example 81
CID 168474664
Imidazo(1,2-a)pyridine-3-acetamide, 6-methyl-2-(5-methyl-2-thienyl)-
CID 13259004
Imidazo(1,2-a)pyridine-3-acetamide, N,N,6-trimethyl-2-(5-methyl-2-thienyl)-
CID 13259005

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 159828705) is 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone is Nc1ccc(-c2ccc(F)s2)nc1CC(=O)N1CCC(c2ncc(F)cn2)C1.
What is the InChIKey of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is SJFTXQBFZJEXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5OS/c20-12-8-23-19(24-9-12)11-5-6-26(10-11)18(27)7-15-13(22)1-2-14(25-15)16-3-4-17(21)28-16/h1-4,8-9,11H,5-7,10,22H2.
What are the key properties of 2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
2-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 401.44 g/mol, XLogP of 3.02, 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-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 159828705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).