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3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide

C20H20FN7O2 — CID 175076082

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

IUPAC3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)nc(C2CCCN2)n1N
InChIInChI=1S/C20H20FN7O2/c21-13-7-9-25-15(10-13)26-20(30)12-5-3-11(4-6-12)16-17(18(22)29)28(23)19(27-16)14-2-1-8-24-14/h3-7,9-10,14,24H,1-2,8,23H2,(H2,22,29)(H,25,26,30)
InChIKeyFJKUHZFAHARKCG-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide

3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide (PubChem CID 175076082) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
PubChem CID175076082
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)nc(C2CCCN2)n1N
InChIInChI=1S/C20H20FN7O2/c21-13-7-9-25-15(10-13)26-20(30)12-5-3-11(4-6-12)16-17(18(22)29)28(23)19(27-16)14-2-1-8-24-14/h3-7,9-10,14,24H,1-2,8,23H2,(H2,22,29)(H,25,26,30)
InChIKeyFJKUHZFAHARKCG-UHFFFAOYSA-N
XLogP1.57
TPSA140.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide?
The IUPAC name of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide (CID 175076082) is 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide is NC(=O)c1c(-c2ccc(C(=O)Nc3cc(F)ccn3)cc2)nc(C2CCCN2)n1N.
What is the InChIKey of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide?
The InChIKey is FJKUHZFAHARKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c21-13-7-9-25-15(10-13)26-20(30)12-5-3-11(4-6-12)16-17(18(22)29)28(23)19(27-16)14-2-1-8-24-14/h3-7,9-10,14,24H,1-2,8,23H2,(H2,22,29)(H,25,26,30).
What are the key properties of 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide?
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 175076082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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