2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C20H22ClN5O2 — CID 57380549

IUPAC2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCOCCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C20H22ClN5O2/c1-28-10-2-7-22-18-19-24-12-17(26(19)9-8-23-18)13-3-6-15(16(21)11-13)20(27)25-14-4-5-14/h3,6,8-9,11-12,14H,2,4-5,7,10H2,1H3,(H,22,23)(H,25,27)
InChIKeyYDBGQUSHNRGALS-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.39
Rot. Bonds8

About 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57380549) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57380549
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCOCCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C20H22ClN5O2/c1-28-10-2-7-22-18-19-24-12-17(26(19)9-8-23-18)13-3-6-15(16(21)11-13)20(27)25-14-4-5-14/h3,6,8-9,11-12,14H,2,4-5,7,10H2,1H3,(H,22,23)(H,25,27)
InChIKeyYDBGQUSHNRGALS-UHFFFAOYSA-N
XLogP3.39
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
2-chloro-4-[8-(2-cyanoethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-4-[8-(2,2,3,3,3-pentafluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 158236123
1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126474461
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
CID 57382825
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57380549) is 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is COCCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc12.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is YDBGQUSHNRGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-28-10-2-7-22-18-19-24-12-17(26(19)9-8-23-18)13-3-6-15(16(21)11-13)20(27)25-14-4-5-14/h3,6,8-9,11-12,14H,2,4-5,7,10H2,1H3,(H,22,23)(H,25,27).
What are the key properties of 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57380549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).