N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C19H19ClF2N4O2 — CID 90114691

IUPACN-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCCN
InChIInChI=1S/C19H19ClF2N4O2/c1-11-17(19(27)24-7-3-6-23)26-9-12(20)8-16(18(26)25-11)28-10-13-14(21)4-2-5-15(13)22/h2,4-5,8-9H,3,6-7,10,23H2,1H3,(H,24,27)
InChIKeyFNBXHBKSHOAUTN-UHFFFAOYSA-N
MW408.84 g/mol
LogP3.23
Rot. Bonds7

About N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90114691) has the molecular formula C19H19ClF2N4O2 and a molecular weight of 408.84 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90114691
Molecular FormulaC19H19ClF2N4O2
Molecular Weight408.84 g/mol
Exact Mass408.12
IUPAC NameN-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCCN
InChIInChI=1S/C19H19ClF2N4O2/c1-11-17(19(27)24-7-3-6-23)26-9-12(20)8-16(18(26)25-11)28-10-13-14(21)4-2-5-15(13)22/h2,4-5,8-9H,3,6-7,10,23H2,1H3,(H,24,27)
InChIKeyFNBXHBKSHOAUTN-UHFFFAOYSA-N
XLogP3.23
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90114691) is N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FNBXHBKSHOAUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O2/c1-11-17(19(27)24-7-3-6-23)26-9-12(20)8-16(18(26)25-11)28-10-13-14(21)4-2-5-15(13)22/h2,4-5,8-9H,3,6-7,10,23H2,1H3,(H,24,27).
What are the key properties of N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 408.84 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90114691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).