[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone

C28H30N4O2 — CID 55803970

IUPAC[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCn1ncc2c(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C28H30N4O2/c1-4-32-27-24(18-29-32)23(17-25(30-27)21-11-6-5-7-12-21)28(33)31-15-13-22(14-16-31)34-26-19(2)9-8-10-20(26)3/h5-12,17-18,22H,4,13-16H2,1-3H3
InChIKeyHTWYPVYELGBFCM-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.42
Rot. Bonds5

About [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone

[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 55803970) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID55803970
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCn1ncc2c(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C28H30N4O2/c1-4-32-27-24(18-29-32)23(17-25(30-27)21-11-6-5-7-12-21)28(33)31-15-13-22(14-16-31)34-26-19(2)9-8-10-20(26)3/h5-12,17-18,22H,4,13-16H2,1-3H3
InChIKeyHTWYPVYELGBFCM-UHFFFAOYSA-N
XLogP5.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112807516
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 32539440
(6R)-4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536024
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112807539
(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26020581

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 55803970) is [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone is CCn1ncc2c(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)cc(-c3ccccc3)nc21.
What is the InChIKey of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is HTWYPVYELGBFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-4-32-27-24(18-29-32)23(17-25(30-27)21-11-6-5-7-12-21)28(33)31-15-13-22(14-16-31)34-26-19(2)9-8-10-20(26)3/h5-12,17-18,22H,4,13-16H2,1-3H3.
What are the key properties of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 454.57 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 55803970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).