2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride

C24H24ClFN4O2 — CID 165131719

IUPAC2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(C3(F)CCNCC3)c2n1
InChIInChI=1S/C24H23FN4O2.ClH/c25-24(7-9-26-10-8-24)20-11-16(15-5-6-15)12-28-13-17(27-21(20)28)14-29-22(30)18-3-1-2-4-19(18)23(29)31;/h1-4,11-13,15,26H,5-10,14H2;1H
InChIKeyDNOMSTICGOXZKK-UHFFFAOYSA-N
MW454.93 g/mol
LogP3.98
Rot. Bonds4

About 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride

2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride (PubChem CID 165131719) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride
PubChem CID165131719
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(C3(F)CCNCC3)c2n1
InChIInChI=1S/C24H23FN4O2.ClH/c25-24(7-9-26-10-8-24)20-11-16(15-5-6-15)12-28-13-17(27-21(20)28)14-29-22(30)18-3-1-2-4-19(18)23(29)31;/h1-4,11-13,15,26H,5-10,14H2;1H
InChIKeyDNOMSTICGOXZKK-UHFFFAOYSA-N
XLogP3.98
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165131617
2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165132782
2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride
CID 156819355
2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 165134144
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 131122854
2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
CID 177333947
2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione
CID 122455862
tert-butyl 4-[6-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
CID 165132809
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386
2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 170774731
2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
CID 18695517
tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate
CID 165133411

Frequently Asked Questions

What is the IUPAC name of 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride (CID 165131719) is 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride is Cl.O=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(C3(F)CCNCC3)c2n1.
What is the InChIKey of 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is DNOMSTICGOXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.ClH/c25-24(7-9-26-10-8-24)20-11-16(15-5-6-15)12-28-13-17(27-21(20)28)14-29-22(30)18-3-1-2-4-19(18)23(29)31;/h1-4,11-13,15,26H,5-10,14H2;1H.
What are the key properties of 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride?
2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 454.93 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 165131719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).