N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine

C26H18Cl2FN5 — CID 149285879

IUPACN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine
SMILESFc1cc2[nH]cc(Cl)c2cc1CNC1=NCc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc21
InChIInChI=1S/C26H18Cl2FN5/c27-18-5-15-3-14(1-2-24(15)31-12-18)4-19-7-20-17(10-30-19)11-34-26(20)33-9-16-6-21-22(28)13-32-25(21)8-23(16)29/h1-3,5-8,10,12-13,32H,4,9,11H2,(H,33,34)
InChIKeyXTWMGSFKHSRWBV-UHFFFAOYSA-N
MW490.37 g/mol
LogP6.20
Rot. Bonds4

About N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine (PubChem CID 149285879) has the molecular formula C26H18Cl2FN5 and a molecular weight of 490.37 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine
PubChem CID149285879
Molecular FormulaC26H18Cl2FN5
Molecular Weight490.37 g/mol
Exact Mass489.09
IUPAC NameN-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine
SMILESFc1cc2[nH]cc(Cl)c2cc1CNC1=NCc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc21
InChIInChI=1S/C26H18Cl2FN5/c27-18-5-15-3-14(1-2-24(15)31-12-18)4-19-7-20-17(10-30-19)11-34-26(20)33-9-16-6-21-22(28)13-32-25(21)8-23(16)29/h1-3,5-8,10,12-13,32H,4,9,11H2,(H,33,34)
InChIKeyXTWMGSFKHSRWBV-UHFFFAOYSA-N
XLogP6.20
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.37
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
5-chloro-6-(5-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11631784
6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11494167
5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11566981
5-chloro-6-(4-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11682250
4-chloro-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72195337
2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline
CID 118449718
2-(7-chloro-6-fluoro-1H-indol-3-yl)quinoline
CID 118449727
2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline
CID 118449830
2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
8-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449909

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine?
The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine (CID 149285879) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine.
What is the SMILES notation for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine?
The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine is Fc1cc2[nH]cc(Cl)c2cc1CNC1=NCc2cnc(Cc3ccc4ncc(Cl)cc4c3)cc21.
What is the InChIKey of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine?
The InChIKey is XTWMGSFKHSRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2FN5/c27-18-5-15-3-14(1-2-24(15)31-12-18)4-19-7-20-17(10-30-19)11-34-26(20)33-9-16-6-21-22(28)13-32-25(21)8-23(16)29/h1-3,5-8,10,12-13,32H,4,9,11H2,(H,33,34).
What are the key properties of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine?
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine has a molecular weight of 490.37 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrolo[3,4-c]pyridin-1-amine is sourced from PubChem (CID 149285879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).