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N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide

C18H17FN6OS — CID 153394076

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CCC(c2ncccn2)C1
InChIInChI=1S/C18H17FN6OS/c19-15-5-4-14(27-15)13-3-2-12(20)17(23-13)24-18(26)25-9-6-11(10-25)16-21-7-1-8-22-16/h1-5,7-8,11H,6,9-10,20H2,(H,23,24,26)
InChIKeyLIMLCCMRCLLAAC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.34
Rot. Bonds3

About N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide

N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (PubChem CID 153394076) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
PubChem CID153394076
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC NameN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CCC(c2ncccn2)C1
InChIInChI=1S/C18H17FN6OS/c19-15-5-4-14(27-15)13-3-2-12(20)17(23-13)24-18(26)25-9-6-11(10-25)16-21-7-1-8-22-16/h1-5,7-8,11H,6,9-10,20H2,(H,23,24,26)
InChIKeyLIMLCCMRCLLAAC-UHFFFAOYSA-N
XLogP3.34
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (CID 153394076) is N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is Nc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CCC(c2ncccn2)C1.
What is the InChIKey of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is LIMLCCMRCLLAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6OS/c19-15-5-4-14(27-15)13-3-2-12(20)17(23-13)24-18(26)25-9-6-11(10-25)16-21-7-1-8-22-16/h1-5,7-8,11H,6,9-10,20H2,(H,23,24,26).
What are the key properties of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 153394076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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