7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

C27H26N4O2 — CID 168805712

IUPAC7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccnc(C)c1-c1cnc2[nH]cc(-c3ccc4c(c3)OC3(CCNCC3)CC4=O)c2c1
InChIInChI=1S/C27H26N4O2/c1-16-5-8-29-17(2)25(16)19-11-21-22(15-31-26(21)30-14-19)18-3-4-20-23(32)13-27(33-24(20)12-18)6-9-28-10-7-27/h3-5,8,11-12,14-15,28H,6-7,9-10,13H2,1-2H3,(H,30,31)
InChIKeyZOOZEDGXUOCOAZ-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.00
Rot. Bonds2

About 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 168805712) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID168805712
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccnc(C)c1-c1cnc2[nH]cc(-c3ccc4c(c3)OC3(CCNCC3)CC4=O)c2c1
InChIInChI=1S/C27H26N4O2/c1-16-5-8-29-17(2)25(16)19-11-21-22(15-31-26(21)30-14-19)18-3-4-20-23(32)13-27(33-24(20)12-18)6-9-28-10-7-27/h3-5,8,11-12,14-15,28H,6-7,9-10,13H2,1-2H3,(H,30,31)
InChIKeyZOOZEDGXUOCOAZ-UHFFFAOYSA-N
XLogP5.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azane;6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68979628
7-methylspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one;hydrochloride
CID 178145475
2,2-dimethyl-7-[2-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
CID 168773137
2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
CID 168772930
1'-methyl-5-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)spiro[2H-indene-3,4'-piperidine]-1-one
CID 168805702
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 66524938
6-[2-fluoro-6-(methylamino)-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 166093723
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
CID 87056586
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 16643155

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 168805712) is 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccnc(C)c1-c1cnc2[nH]cc(-c3ccc4c(c3)OC3(CCNCC3)CC4=O)c2c1.
What is the InChIKey of 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZOOZEDGXUOCOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-16-5-8-29-17(2)25(16)19-11-21-22(15-31-26(21)30-14-19)18-3-4-20-23(32)13-27(33-24(20)12-18)6-9-28-10-7-27/h3-5,8,11-12,14-15,28H,6-7,9-10,13H2,1-2H3,(H,30,31).
What are the key properties of 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 438.53 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2,4-dimethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 168805712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).