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

C23H26N4O — CID 142594614

IUPAC4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
SMILESCC(C)c1c(-c2ccnc3[nH]cc(O)c23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C23H26N4O/c1-13(2)20-17-11-15(14-5-8-24-9-6-14)3-4-18(17)27-22(20)16-7-10-25-23-21(16)19(28)12-26-23/h3-4,7,10-14,24,27-28H,5-6,8-9H2,1-2H3,(H,25,26)
InChIKeyXRXGLBZZCNMKMC-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.01
Rot. Bonds3

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

4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol (PubChem CID 142594614) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol.

Molecular Properties

Compound Name4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
PubChem CID142594614
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol
SMILESCC(C)c1c(-c2ccnc3[nH]cc(O)c23)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C23H26N4O/c1-13(2)20-17-11-15(14-5-8-24-9-6-14)3-4-18(17)27-22(20)16-7-10-25-23-21(16)19(28)12-26-23/h3-4,7,10-14,24,27-28H,5-6,8-9H2,1-2H3,(H,25,26)
InChIKeyXRXGLBZZCNMKMC-UHFFFAOYSA-N
XLogP5.01
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
The IUPAC name of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol (CID 142594614) is 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol.
What is the SMILES notation for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
The canonical SMILES for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol is CC(C)c1c(-c2ccnc3[nH]cc(O)c23)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
The InChIKey is XRXGLBZZCNMKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-13(2)20-17-11-15(14-5-8-24-9-6-14)3-4-18(17)27-22(20)16-7-10-25-23-21(16)19(28)12-26-23/h3-4,7,10-14,24,27-28H,5-6,8-9H2,1-2H3,(H,25,26).
What are the key properties of 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol?
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol has a molecular weight of 374.49 g/mol, XLogP of 5.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-ol is sourced from PubChem (CID 142594614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).