4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C27H28FN7O — CID 167532320

IUPAC4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCN(C)Cc1cc(Nc2ncc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)cnc1C1CCCC1
InChIInChI=1S/C27H28FN7O/c1-34(2)15-17-9-19(11-30-25(17)16-5-3-4-6-16)33-26-24-21(13-32-27(24)36)20(12-31-26)22-14-29-23-10-18(28)7-8-35(22)23/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyVIGZGYKUVBDFQB-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.64
Rot. Bonds6

About 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 167532320) has the molecular formula C27H28FN7O and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID167532320
Molecular FormulaC27H28FN7O
Molecular Weight485.57 g/mol
Exact Mass485.23
IUPAC Name4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCN(C)Cc1cc(Nc2ncc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)cnc1C1CCCC1
InChIInChI=1S/C27H28FN7O/c1-34(2)15-17-9-19(11-30-25(17)16-5-3-4-6-16)33-26-24-21(13-32-27(24)36)20(12-31-26)22-14-29-23-10-18(28)7-8-35(22)23/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyVIGZGYKUVBDFQB-UHFFFAOYSA-N
XLogP4.64
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

4-[[5-[(dimethylamino)methyl]-6-[(3S)-oxolan-3-yl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 165400289
4-[4-[(2S)-2-tert-butylmorpholin-4-yl]anilino]-7-pyridin-4-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1-[4-(4-hydroxypiperidin-1-yl)anilino]-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 167537796
4-[3-[(dimethylamino)methyl]-4-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]anilino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 165400197
7-[[6-[(dimethylamino)methyl]-5-(3-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156652082
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[3-(methylaminomethyl)-4-[(3S)-oxolan-3-yl]anilino]-2,3-dihydroisoindol-1-one
CID 176618644
7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 167458653
7-[[4-[(1S)-1-(dimethylamino)ethyl]-5-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 176618632
7-[[4-[(1R)-1-(dimethylamino)ethyl]-5-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 176618626
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
CID 156652343
7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156652502
(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
CID 177261819
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 157113393

Frequently Asked Questions

What is the IUPAC name of 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 167532320) is 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is CN(C)Cc1cc(Nc2ncc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)cnc1C1CCCC1.
What is the InChIKey of 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is VIGZGYKUVBDFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O/c1-34(2)15-17-9-19(11-30-25(17)16-5-3-4-6-16)33-26-24-21(13-32-27(24)36)20(12-31-26)22-14-29-23-10-18(28)7-8-35(22)23/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,31,33)(H,32,36).
What are the key properties of 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 485.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-cyclopentyl-5-[(dimethylamino)methyl]-3-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 167532320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).