2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

C26H20N6O — CID 16736208

IUPAC2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNc4ccc5[nH]ncc5c4)nc3cc1C2
InChIInChI=1S/C26H20N6O/c33-25-26(21-2-1-7-27-24(21)31-25)11-16-8-15-3-4-20(30-23(15)10-17(16)12-26)14-28-19-5-6-22-18(9-19)13-29-32-22/h1-10,13,28H,11-12,14H2,(H,29,32)(H,27,31,33)
InChIKeyXMNGXFBXBDHDDX-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.11
Rot. Bonds3

About 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one

2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (PubChem CID 16736208) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.

Molecular Properties

Compound Name2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
PubChem CID16736208
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNc4ccc5[nH]ncc5c4)nc3cc1C2
InChIInChI=1S/C26H20N6O/c33-25-26(21-2-1-7-27-24(21)31-25)11-16-8-15-3-4-20(30-23(15)10-17(16)12-26)14-28-19-5-6-22-18(9-19)13-29-32-22/h1-10,13,28H,11-12,14H2,(H,29,32)(H,27,31,33)
InChIKeyXMNGXFBXBDHDDX-UHFFFAOYSA-N
XLogP4.11
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2'-tert-butylspiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 58026269
2'-[4-(4-hydroxyphenyl)butyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 59594343
7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione
CID 23581952
3'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 123217091
(3S)-3'-iodospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58118681
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 66864917
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 59166722
N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
CID 60696868
(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)azanide;rubidium(1+)
CID 59166744
4-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]pyridine-3-carboxylic acid
CID 66722373
4-methyl-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)benzenesulfonamide
CID 169371950
(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
CID 175969352

Frequently Asked Questions

What is the IUPAC name of 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The IUPAC name of 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one (CID 16736208) is 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one.
What is the SMILES notation for 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The canonical SMILES for 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is O=C1Nc2ncccc2C12Cc1cc3ccc(CNc4ccc5[nH]ncc5c4)nc3cc1C2.
What is the InChIKey of 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
The InChIKey is XMNGXFBXBDHDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c33-25-26(21-2-1-7-27-24(21)31-25)11-16-8-15-3-4-20(30-23(15)10-17(16)12-26)14-28-19-5-6-22-18(9-19)13-29-32-22/h1-10,13,28H,11-12,14H2,(H,29,32)(H,27,31,33).
What are the key properties of 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one?
2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one has a molecular weight of 432.49 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one is sourced from PubChem (CID 16736208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).