N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide

C26H24N4O — CID 134143690

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide
SMILESO=C(CCc1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C26H24N4O/c31-25(27-13-12-20-16-28-24-9-5-4-8-21(20)24)11-10-18-14-22-23(17-30-26(22)29-15-18)19-6-2-1-3-7-19/h1-9,14-17,28H,10-13H2,(H,27,31)(H,29,30)
InChIKeyBOZJFMFCYVMHAJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.00
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide (PubChem CID 134143690) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide
PubChem CID134143690
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide
SMILESO=C(CCc1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C26H24N4O/c31-25(27-13-12-20-16-28-24-9-5-4-8-21(20)24)11-10-18-14-22-23(17-30-26(22)29-15-18)19-6-2-1-3-7-19/h1-9,14-17,28H,10-13H2,(H,27,31)(H,29,30)
InChIKeyBOZJFMFCYVMHAJ-UHFFFAOYSA-N
XLogP5.00
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide (CID 134143690) is N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide is O=C(CCc1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide?
The InChIKey is BOZJFMFCYVMHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-25(27-13-12-20-16-28-24-9-5-4-8-21(20)24)11-10-18-14-22-23(17-30-26(22)29-15-18)19-6-2-1-3-7-19/h1-9,14-17,28H,10-13H2,(H,27,31)(H,29,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide has a molecular weight of 408.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 134143690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).