4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one

C27H28N6O2 — CID 158256809

IUPAC4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one
SMILESCNCc1nc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)CC3)ccc1[C@H]1CCOC1
InChIInChI=1S/C27H28N6O2/c1-28-13-21-17(16-9-12-35-15-16)4-6-24(31-21)32-22-14-30-26(20-3-5-23(34)25(20)22)18-7-10-29-27-19(18)8-11-33(27)2/h4,6-8,10-11,14,16,28H,3,5,9,12-13,15H2,1-2H3,(H,31,32)/t16-/m0/s1
InChIKeyGHJQLLOGUITCPT-INIZCTEOSA-N
MW468.56 g/mol
LogP4.13
Rot. Bonds6

About 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one

4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one (PubChem CID 158256809) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one.

Molecular Properties

Compound Name4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one
PubChem CID158256809
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one
SMILESCNCc1nc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)CC3)ccc1[C@H]1CCOC1
InChIInChI=1S/C27H28N6O2/c1-28-13-21-17(16-9-12-35-15-16)4-6-24(31-21)32-22-14-30-26(20-3-5-23(34)25(20)22)18-7-10-29-27-19(18)8-11-33(27)2/h4,6-8,10-11,14,16,28H,3,5,9,12-13,15H2,1-2H3,(H,31,32)/t16-/m0/s1
InChIKeyGHJQLLOGUITCPT-INIZCTEOSA-N
XLogP4.13
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one with MolForge

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Related Compounds

7-[[6-(aminomethyl)-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 159866533
N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine
CID 166682746
4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[(11S)-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 177261903
7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652153
tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-chloro-7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;bis(tert-butyl 7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate);tert-butyl 7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;6-[(dimethylamino)methyl]-5-(oxolan-3-yl)pyridin-2-amine;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 162150077
(6R)-9-methyl-12-[[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-7-yl]amino]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
CID 177261656
7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(2-methyl-4-pyridinyl)-2,3-dihydroisoindol-1-one
CID 176836675
7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 176836684
7-[[6-[(dimethylamino)methyl]-5-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one;7-[[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroinden-1-one
CID 161223093
7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(5-oxa-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-2,3-dihydroisoindol-1-one
CID 176836939
8-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-5-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2H-isoquinolin-1-one
CID 164882794
7-[[6-[(dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(1,7,8-triazatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl)-2,3-dihydroisoindol-1-one
CID 176836734

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one?
The IUPAC name of 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one (CID 158256809) is 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one.
What is the SMILES notation for 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one?
The canonical SMILES for 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one is CNCc1nc(Nc2cnc(-c3ccnc4c3ccn4C)c3c2C(=O)CC3)ccc1[C@H]1CCOC1.
What is the InChIKey of 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one?
The InChIKey is GHJQLLOGUITCPT-INIZCTEOSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-28-13-21-17(16-9-12-35-15-16)4-6-24(31-21)32-22-14-30-26(20-3-5-23(34)25(20)22)18-7-10-29-27-19(18)8-11-33(27)2/h4,6-8,10-11,14,16,28H,3,5,9,12-13,15H2,1-2H3,(H,31,32)/t16-/m0/s1.
What are the key properties of 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one?
4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one has a molecular weight of 468.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylaminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydrocyclopenta[c]pyridin-5-one is sourced from PubChem (CID 158256809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).