(Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

C25H20N4O2 — CID 18400667

IUPAC(Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESNC(=O)/C(=C\c1c[nH]c2ncccc12)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C25H20N4O2/c26-24(30)21(11-17-13-29-25-19(17)7-4-10-27-25)22-14-28-23-9-8-18(12-20(22)23)31-15-16-5-2-1-3-6-16/h1-14,28H,15H2,(H2,26,30)(H,27,29)/b21-11-
InChIKeyARGVHBWMCGKLDB-NHDPSOOVSA-N
MW408.46 g/mol
LogP4.65
Rot. Bonds6

About (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

(Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (PubChem CID 18400667) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
PubChem CID18400667
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name(Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
SMILESNC(=O)/C(=C\c1c[nH]c2ncccc12)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C25H20N4O2/c26-24(30)21(11-17-13-29-25-19(17)7-4-10-27-25)22-14-28-23-9-8-18(12-20(22)23)31-15-16-5-2-1-3-6-16/h1-14,28H,15H2,(H2,26,30)(H,27,29)/b21-11-
InChIKeyARGVHBWMCGKLDB-NHDPSOOVSA-N
XLogP4.65
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The IUPAC name of (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (CID 18400667) is (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is NC(=O)/C(=C\c1c[nH]c2ncccc12)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
The InChIKey is ARGVHBWMCGKLDB-NHDPSOOVSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-24(30)21(11-17-13-29-25-19(17)7-4-10-27-25)22-14-28-23-9-8-18(12-20(22)23)31-15-16-5-2-1-3-6-16/h1-14,28H,15H2,(H2,26,30)(H,27,29)/b21-11-.
What are the key properties of (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide?
(Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide has a molecular weight of 408.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-phenylmethoxy-1H-indol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 18400667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).