[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone

C24H24N4O3 — CID 172890191

IUPAC[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(C2=CCOCC2)cc1)N1CCN(C(=O)c2cc3cccnc3[nH]2)CC1
InChIInChI=1S/C24H24N4O3/c29-23(19-5-3-17(4-6-19)18-7-14-31-15-8-18)27-10-12-28(13-11-27)24(30)21-16-20-2-1-9-25-22(20)26-21/h1-7,9,16H,8,10-15H2,(H,25,26)
InChIKeyDXCXSALNYXPSJV-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.96
Rot. Bonds3

About [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone

[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 172890191) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID172890191
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(C2=CCOCC2)cc1)N1CCN(C(=O)c2cc3cccnc3[nH]2)CC1
InChIInChI=1S/C24H24N4O3/c29-23(19-5-3-17(4-6-19)18-7-14-31-15-8-18)27-10-12-28(13-11-27)24(30)21-16-20-2-1-9-25-22(20)26-21/h1-7,9,16H,8,10-15H2,(H,25,26)
InChIKeyDXCXSALNYXPSJV-UHFFFAOYSA-N
XLogP2.96
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 128709518
3-[4-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]sulfonylphenyl]propanoic acid
CID 172890589
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
(3S)-1-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 163269779
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532
2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740637
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 141396571
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 122648492
6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618191
pyrrolidin-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methanone
CID 58087868
ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
CID 164809743

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 172890191) is [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(C2=CCOCC2)cc1)N1CCN(C(=O)c2cc3cccnc3[nH]2)CC1.
What is the InChIKey of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DXCXSALNYXPSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-23(19-5-3-17(4-6-19)18-7-14-31-15-8-18)27-10-12-28(13-11-27)24(30)21-16-20-2-1-9-25-22(20)26-21/h1-7,9,16H,8,10-15H2,(H,25,26).
What are the key properties of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone?
[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 416.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 172890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).