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

C18H16F2N6OS — CID 163959213

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

IUPACN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CCC(F)(c2ncccn2)C1
InChIInChI=1S/C18H16F2N6OS/c19-14-5-4-13(28-14)12-3-2-11(21)15(24-12)25-17(27)26-9-6-18(20,10-26)16-22-7-1-8-23-16/h1-5,7-8H,6,9-10,21H2,(H,24,25,27)
InChIKeySGAPJHWZWYFYTH-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.42
Rot. Bonds3

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

N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (PubChem CID 163959213) has the molecular formula C18H16F2N6OS and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
PubChem CID163959213
Molecular FormulaC18H16F2N6OS
Molecular Weight402.43 g/mol
Exact Mass402.11
IUPAC NameN-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
SMILESNc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CCC(F)(c2ncccn2)C1
InChIInChI=1S/C18H16F2N6OS/c19-14-5-4-13(28-14)12-3-2-11(21)15(24-12)25-17(27)26-9-6-18(20,10-26)16-22-7-1-8-23-16/h1-5,7-8H,6,9-10,21H2,(H,24,25,27)
InChIKeySGAPJHWZWYFYTH-UHFFFAOYSA-N
XLogP3.42
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.42
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-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (CID 163959213) is N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is Nc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CCC(F)(c2ncccn2)C1.
What is the InChIKey of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is SGAPJHWZWYFYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6OS/c19-14-5-4-13(28-14)12-3-2-11(21)15(24-12)25-17(27)26-9-6-18(20,10-26)16-22-7-1-8-23-16/h1-5,7-8H,6,9-10,21H2,(H,24,25,27).
What are the key properties of N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?
N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.42, 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-fluoro-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 163959213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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