N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine

C17H13ClN4O — CID 141211571

IUPACN-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine
SMILESClc1cc(NC2=CC=NC2)ccc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C17H13ClN4O/c18-14-9-11(22-12-3-6-19-10-12)1-2-16(14)23-15-5-8-21-17-13(15)4-7-20-17/h1-9,22H,10H2,(H,20,21)
InChIKeyHUOZWISOSXDVHT-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.39
Rot. Bonds4

About N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine

N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine (PubChem CID 141211571) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine
PubChem CID141211571
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC NameN-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine
SMILESClc1cc(NC2=CC=NC2)ccc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C17H13ClN4O/c18-14-9-11(22-12-3-6-19-10-12)1-2-16(14)23-15-5-8-21-17-13(15)4-7-20-17/h1-9,22H,10H2,(H,20,21)
InChIKeyHUOZWISOSXDVHT-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine?
The IUPAC name of N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine (CID 141211571) is N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine.
What is the SMILES notation for N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine?
The canonical SMILES for N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine is Clc1cc(NC2=CC=NC2)ccc1Oc1ccnc2[nH]ccc12.
What is the InChIKey of N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine?
The InChIKey is HUOZWISOSXDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-9-11(22-12-3-6-19-10-12)1-2-16(14)23-15-5-8-21-17-13(15)4-7-20-17/h1-9,22H,10H2,(H,20,21).
What are the key properties of N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine?
N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine has a molecular weight of 324.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2H-pyrrol-3-amine is sourced from PubChem (CID 141211571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).