2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

C24H29N5O2 — CID 143685701

IUPAC2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCNC1CCN(C(=O)Cc2cn3c(C(=O)NCC4C5CC6CC7C4C657)cccc3n2)C1
InChIInChI=1S/C24H29N5O2/c1-25-14-5-6-28(11-14)21(30)9-15-12-29-19(3-2-4-20(29)27-15)23(31)26-10-16-17-7-13-8-18-22(16)24(13,17)18/h2-4,12-14,16-18,22,25H,5-11H2,1H3,(H,26,31)
InChIKeyBFLCOLNPVCXAGY-UHFFFAOYSA-N
MW419.53 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 143685701) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID143685701
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESCNC1CCN(C(=O)Cc2cn3c(C(=O)NCC4C5CC6CC7C4C657)cccc3n2)C1
InChIInChI=1S/C24H29N5O2/c1-25-14-5-6-28(11-14)21(30)9-15-12-29-19(3-2-4-20(29)27-15)23(31)26-10-16-17-7-13-8-18-22(16)24(13,17)18/h2-4,12-14,16-18,22,25H,5-11H2,1H3,(H,26,31)
InChIKeyBFLCOLNPVCXAGY-UHFFFAOYSA-N
XLogP1.33
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 143685701) is 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is CNC1CCN(C(=O)Cc2cn3c(C(=O)NCC4C5CC6CC7C4C657)cccc3n2)C1.
What is the InChIKey of 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is BFLCOLNPVCXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-25-14-5-6-28(11-14)21(30)9-15-12-29-19(3-2-4-20(29)27-15)23(31)26-10-16-17-7-13-8-18-22(16)24(13,17)18/h2-4,12-14,16-18,22,25H,5-11H2,1H3,(H,26,31).
What are the key properties of 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(3-tetracyclo[4.2.0.01,4.02,8]octanylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 143685701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).