4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol

C21H22N4O — CID 142594116

IUPAC4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
SMILESCc1c(-c2ccnc3[nH]cc(O)c23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H22N4O/c1-12-16-10-14(13-4-7-22-8-5-13)2-3-17(16)25-20(12)15-6-9-23-21-19(15)18(26)11-24-21/h2-3,6,9-11,13,22,25-26H,4-5,7-8H2,1H3,(H,23,24)
InChIKeyUJCQPJSFAXQJOU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.19
Rot. Bonds2

About 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol

4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol (PubChem CID 142594116) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol.

Molecular Properties

Compound Name4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
PubChem CID142594116
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
SMILESCc1c(-c2ccnc3[nH]cc(O)c23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H22N4O/c1-12-16-10-14(13-4-7-22-8-5-13)2-3-17(16)25-20(12)15-6-9-23-21-19(15)18(26)11-24-21/h2-3,6,9-11,13,22,25-26H,4-5,7-8H2,1H3,(H,23,24)
InChIKeyUJCQPJSFAXQJOU-UHFFFAOYSA-N
XLogP4.19
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
The IUPAC name of 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol (CID 142594116) is 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol.
What is the SMILES notation for 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
The canonical SMILES for 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol is Cc1c(-c2ccnc3[nH]cc(O)c23)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
The InChIKey is UJCQPJSFAXQJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-12-16-10-14(13-4-7-22-8-5-13)2-3-17(16)25-20(12)15-6-9-23-21-19(15)18(26)11-24-21/h2-3,6,9-11,13,22,25-26H,4-5,7-8H2,1H3,(H,23,24).
What are the key properties of 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol has a molecular weight of 346.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-piperidin-4-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol is sourced from PubChem (CID 142594116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).