1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide

C24H29BrN4O2 — CID 60559765

IUPAC1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29BrN4O2/c25-18-3-4-21-27-19(14-28(21)13-18)12-26-22(30)20-2-1-5-29(20)23(31)24-9-15-6-16(10-24)8-17(7-15)11-24/h3-4,13-17,20H,1-2,5-12H2,(H,26,30)
InChIKeyNRDIPZUPXVJTDQ-UHFFFAOYSA-N
MW485.43 g/mol
LogP3.92
Rot. Bonds4

About 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 60559765) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID60559765
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29BrN4O2/c25-18-3-4-21-27-19(14-28(21)13-18)12-26-22(30)20-2-1-5-29(20)23(31)24-9-15-6-16(10-24)8-17(7-15)11-24/h3-4,13-17,20H,1-2,5-12H2,(H,26,30)
InChIKeyNRDIPZUPXVJTDQ-UHFFFAOYSA-N
XLogP3.92
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 60559765) is 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NRDIPZUPXVJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c25-18-3-4-21-27-19(14-28(21)13-18)12-26-22(30)20-2-1-5-29(20)23(31)24-9-15-6-16(10-24)8-17(7-15)11-24/h3-4,13-17,20H,1-2,5-12H2,(H,26,30).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 485.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60559765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).