N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine

C20H15Cl2N3O — CID 160747905

IUPACN-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
SMILESClc1ccccc1COc1ccc(NC2=NCc3cccnc32)cc1Cl
InChIInChI=1S/C20H15Cl2N3O/c21-16-6-2-1-4-14(16)12-26-18-8-7-15(10-17(18)22)25-20-19-13(11-24-20)5-3-9-23-19/h1-10H,11-12H2,(H,24,25)
InChIKeyRFVZVAHWIRSCEO-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.34
Rot. Bonds4

About N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine

N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine (PubChem CID 160747905) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
PubChem CID160747905
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC NameN-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
SMILESClc1ccccc1COc1ccc(NC2=NCc3cccnc32)cc1Cl
InChIInChI=1S/C20H15Cl2N3O/c21-16-6-2-1-4-14(16)12-26-18-8-7-15(10-17(18)22)25-20-19-13(11-24-20)5-3-9-23-19/h1-10H,11-12H2,(H,24,25)
InChIKeyRFVZVAHWIRSCEO-UHFFFAOYSA-N
XLogP5.34
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(1-phenylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 161126434
1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 157220035
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121410
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1H-pyrazol-4-amine
CID 141149106
1-N-methyl-1-N-(2-piperidin-1-ylethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158904621
1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
3-[(4-methoxypiperidin-1-yl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
CID 158510489
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
6-amino-4-[3-chloro-4-[(2-chlorophenyl)methoxy]anilino]-7-(1-methylpiperidin-4-yl)oxyquinoline-3-carbonitrile
CID 89496228
3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine (CID 160747905) is N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine is Clc1ccccc1COc1ccc(NC2=NCc3cccnc32)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is RFVZVAHWIRSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-16-6-2-1-4-14(16)12-26-18-8-7-15(10-17(18)22)25-20-19-13(11-24-20)5-3-9-23-19/h1-10H,11-12H2,(H,24,25).
What are the key properties of N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine?
N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 384.27 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 160747905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).