1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one

C21H23FN6O2 — CID 169129615

IUPAC1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4F)n3)n2cc1N1CCCC1=O
InChIInChI=1S/C21H23FN6O2/c1-30-18-8-20-24-11-16(28(20)12-17(18)27-7-3-6-21(27)29)14-4-2-5-19(25-14)26-15-10-23-9-13(15)22/h2,4-5,8,11-13,15,23H,3,6-7,9-10H2,1H3,(H,25,26)
InChIKeyKKKZFZNCQNMPTR-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.25
Rot. Bonds5

About 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one

1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one (PubChem CID 169129615) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
PubChem CID169129615
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4F)n3)n2cc1N1CCCC1=O
InChIInChI=1S/C21H23FN6O2/c1-30-18-8-20-24-11-16(28(20)12-17(18)27-7-3-6-21(27)29)14-4-2-5-19(25-14)26-15-10-23-9-13(15)22/h2,4-5,8,11-13,15,23H,3,6-7,9-10H2,1H3,(H,25,26)
InChIKeyKKKZFZNCQNMPTR-UHFFFAOYSA-N
XLogP2.25
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one (CID 169129615) is 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one is COc1cc2ncc(-c3cccc(NC4CNCC4F)n3)n2cc1N1CCCC1=O.
What is the InChIKey of 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
The InChIKey is KKKZFZNCQNMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-30-18-8-20-24-11-16(28(20)12-17(18)27-7-3-6-21(27)29)14-4-2-5-19(25-14)26-15-10-23-9-13(15)22/h2,4-5,8,11-13,15,23H,3,6-7,9-10H2,1H3,(H,25,26).
What are the key properties of 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one has a molecular weight of 410.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 169129615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).