1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride

C21H23ClF2N4O2 — CID 24739857

IUPAC1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(F)c3)ncc(C(=O)NCC3CCOCC3)n12.Cl
InChIInChI=1S/C21H22F2N4O2.ClH/c1-13-2-5-18-20(26-15-3-4-16(22)17(23)10-15)24-12-19(27(13)18)21(28)25-11-14-6-8-29-9-7-14;/h2-5,10,12,14H,6-9,11H2,1H3,(H,24,26)(H,25,28);1H
InChIKeySNDWRGYELDCORW-UHFFFAOYSA-N
MW436.89 g/mol
LogP4.24
Rot. Bonds5

About 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride

1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride (PubChem CID 24739857) has the molecular formula C21H23ClF2N4O2 and a molecular weight of 436.89 g/mol. Its IUPAC name is 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride
PubChem CID24739857
Molecular FormulaC21H23ClF2N4O2
Molecular Weight436.89 g/mol
Exact Mass436.15
IUPAC Name1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(F)c3)ncc(C(=O)NCC3CCOCC3)n12.Cl
InChIInChI=1S/C21H22F2N4O2.ClH/c1-13-2-5-18-20(26-15-3-4-16(22)17(23)10-15)24-12-19(27(13)18)21(28)25-11-14-6-8-29-9-7-14;/h2-5,10,12,14H,6-9,11H2,1H3,(H,24,26)(H,25,28);1H
InChIKeySNDWRGYELDCORW-UHFFFAOYSA-N
XLogP4.24
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.89
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide
CID 24739686
6-(4-fluoro-3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731720
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
CID 118793007
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
5-hydrazinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104642789
4-cyclopentyl-N-(3-ethyl-4-fluorophenyl)-5-[1-(oxepan-4-ylmethylamino)ethenyl]pyridin-2-amine
CID 143086604
1-(4-chloro-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913035
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride (CID 24739857) is 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride is Cc1ccc2c(Nc3ccc(F)c(F)c3)ncc(C(=O)NCC3CCOCC3)n12.Cl.
What is the InChIKey of 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride?
The InChIKey is SNDWRGYELDCORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2.ClH/c1-13-2-5-18-20(26-15-3-4-16(22)17(23)10-15)24-12-19(27(13)18)21(28)25-11-14-6-8-29-9-7-14;/h2-5,10,12,14H,6-9,11H2,1H3,(H,24,26)(H,25,28);1H.
What are the key properties of 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride?
1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride has a molecular weight of 436.89 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride is sourced from PubChem (CID 24739857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).