(4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone

C23H24N4O3 — CID 20784464

IUPAC(4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone
SMILESCOc1ccc2c(c1)c(-c1cc3c(C(=O)N4CCC(O)CC4)ccnc3[nH]1)cn2C
InChIInChI=1S/C23H24N4O3/c1-26-13-19(17-11-15(30-2)3-4-21(17)26)20-12-18-16(5-8-24-22(18)25-20)23(29)27-9-6-14(28)7-10-27/h3-5,8,11-14,28H,6-7,9-10H2,1-2H3,(H,24,25)
InChIKeyPUWUJWKSQXRJHJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.33
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone

(4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone (PubChem CID 20784464) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone
PubChem CID20784464
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone
SMILESCOc1ccc2c(c1)c(-c1cc3c(C(=O)N4CCC(O)CC4)ccnc3[nH]1)cn2C
InChIInChI=1S/C23H24N4O3/c1-26-13-19(17-11-15(30-2)3-4-21(17)26)20-12-18-16(5-8-24-22(18)25-20)23(29)27-9-6-14(28)7-10-27/h3-5,8,11-14,28H,6-7,9-10H2,1-2H3,(H,24,25)
InChIKeyPUWUJWKSQXRJHJ-UHFFFAOYSA-N
XLogP3.33
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone (CID 20784464) is (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone is COc1ccc2c(c1)c(-c1cc3c(C(=O)N4CCC(O)CC4)ccnc3[nH]1)cn2C.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone?
The InChIKey is PUWUJWKSQXRJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-26-13-19(17-11-15(30-2)3-4-21(17)26)20-12-18-16(5-8-24-22(18)25-20)23(29)27-9-6-14(28)7-10-27/h3-5,8,11-14,28H,6-7,9-10H2,1-2H3,(H,24,25).
What are the key properties of (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone?
(4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[2-(5-methoxy-1-methylindol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanone is sourced from PubChem (CID 20784464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).