6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride

C19H19FN6O — CID 171801653

IUPAC6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride
SMILESF.O=C1N(c2cccnc2)Cc2nc(-c3ccc(N4CCCC4)nc3)cn21
InChIInChI=1S/C19H18N6O.FH/c26-19-24(15-4-3-7-20-11-15)13-18-22-16(12-25(18)19)14-5-6-17(21-10-14)23-8-1-2-9-23;/h3-7,10-12H,1-2,8-9,13H2;1H
InChIKeyGGBPKVINZDWBEA-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.08
Rot. Bonds3

About 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride

6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride (PubChem CID 171801653) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride.

Molecular Properties

Compound Name6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride
PubChem CID171801653
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride
SMILESF.O=C1N(c2cccnc2)Cc2nc(-c3ccc(N4CCCC4)nc3)cn21
InChIInChI=1S/C19H18N6O.FH/c26-19-24(15-4-3-7-20-11-15)13-18-22-16(12-25(18)19)14-5-6-17(21-10-14)23-8-1-2-9-23;/h3-7,10-12H,1-2,8-9,13H2;1H
InChIKeyGGBPKVINZDWBEA-UHFFFAOYSA-N
XLogP3.08
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride?
The IUPAC name of 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride (CID 171801653) is 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride.
What is the SMILES notation for 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride?
The canonical SMILES for 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride is F.O=C1N(c2cccnc2)Cc2nc(-c3ccc(N4CCCC4)nc3)cn21.
What is the InChIKey of 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride?
The InChIKey is GGBPKVINZDWBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O.FH/c26-19-24(15-4-3-7-20-11-15)13-18-22-16(12-25(18)19)14-5-6-17(21-10-14)23-8-1-2-9-23;/h3-7,10-12H,1-2,8-9,13H2;1H.
What are the key properties of 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride?
6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride has a molecular weight of 366.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-7H-imidazo[1,2-c]imidazol-5-one;hydrofluoride is sourced from PubChem (CID 171801653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).