2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

C22H23ClFN5O — CID 177307351

IUPAC2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(N5CCNCC5)cc4F)c3)cc21
InChIInChI=1S/C22H22FN5O.ClH/c23-18-12-15(28-9-7-24-8-10-28)1-2-16(18)21-11-14(3-5-25-21)20-13-17-19(27-20)4-6-26-22(17)29;/h1-3,5,11-13,24,27H,4,6-10H2,(H,26,29);1H
InChIKeyAOFLURZNQVPVHL-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.00
Rot. Bonds3

About 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (PubChem CID 177307351) has the molecular formula C22H23ClFN5O and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
PubChem CID177307351
Molecular FormulaC22H23ClFN5O
Molecular Weight427.91 g/mol
Exact Mass427.16
IUPAC Name2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(N5CCNCC5)cc4F)c3)cc21
InChIInChI=1S/C22H22FN5O.ClH/c23-18-12-15(28-9-7-24-8-10-28)1-2-16(18)21-11-14(3-5-25-21)20-13-17-19(27-20)4-6-26-22(17)29;/h1-3,5,11-13,24,27H,4,6-10H2,(H,26,29);1H
InChIKeyAOFLURZNQVPVHL-UHFFFAOYSA-N
XLogP3.00
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-4-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16719968
2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142917082
3-[4-[1-[[1-[3-fluoro-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 167289066
2-[2-[2-(2-fluorophenyl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72653061
(6R)-6-methyl-2-[2-(4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 166461453
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
CID 16720315
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-[2-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 161492989
2-[2-(3,4-dichlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetaldehyde
CID 160564268
2-[2-[(E)-2-(3-fluoro-4-morpholin-4-ylphenyl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetaldehyde
CID 158036194
2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 86594719
2-[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1,1,1-trifluoropropan-2-one
CID 91031351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The IUPAC name of 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (CID 177307351) is 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The canonical SMILES for 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is Cl.O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(N5CCNCC5)cc4F)c3)cc21.
What is the InChIKey of 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The InChIKey is AOFLURZNQVPVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O.ClH/c23-18-12-15(28-9-7-24-8-10-28)1-2-16(18)21-11-14(3-5-25-21)20-13-17-19(27-20)4-6-26-22(17)29;/h1-3,5,11-13,24,27H,4,6-10H2,(H,26,29);1H.
What are the key properties of 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride has a molecular weight of 427.91 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-piperazin-1-ylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 177307351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).