1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine

C53H53ClN10O3 — CID 157179858

IUPAC1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1cccc(-c2cn(CCCN)c3cc(N)ncc23)c1.COc1cccc(-c2cn(CCN)c3cc(N)ncc23)c1.Clc1cc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c2cn1
InChIInChI=1S/C20H15ClN2O.C17H20N4O.C16H18N4O/c21-20-10-19-18(12-23-20)17(11-22-19)15-7-4-8-16(9-15)24-13-14-5-2-1-3-6-14;1-22-13-5-2-4-12(8-13)15-11-21(7-3-6-18)16-9-17(19)20-10-14(15)16;1-21-12-4-2-3-11(7-12)14-10-20(6-5-17)15-8-16(18)19-9-13(14)15/h1-12,22H,13H2;2,4-5,8-11H,3,6-7,18H2,1H3,(H2,19,20);2-4,7-10H,5-6,17H2,1H3,(H2,18,19)
InChIKeyAOLDWNXARBQFGL-UHFFFAOYSA-N
MW913.53 g/mol
LogP10.36
Rot. Bonds13

About 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine

1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 157179858) has the molecular formula C53H53ClN10O3 and a molecular weight of 913.53 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
PubChem CID157179858
Molecular FormulaC53H53ClN10O3
Molecular Weight913.53 g/mol
Exact Mass912.40
IUPAC Name1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1cccc(-c2cn(CCCN)c3cc(N)ncc23)c1.COc1cccc(-c2cn(CCN)c3cc(N)ncc23)c1.Clc1cc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c2cn1
InChIInChI=1S/C20H15ClN2O.C17H20N4O.C16H18N4O/c21-20-10-19-18(12-23-20)17(11-22-19)15-7-4-8-16(9-15)24-13-14-5-2-1-3-6-14;1-22-13-5-2-4-12(8-13)15-11-21(7-3-6-18)16-9-17(19)20-10-14(15)16;1-21-12-4-2-3-11(7-12)14-10-20(6-5-17)15-8-16(18)19-9-13(14)15/h1-12,22H,13H2;2,4-5,8-11H,3,6-7,18H2,1H3,(H2,19,20);2-4,7-10H,5-6,17H2,1H3,(H2,18,19)
InChIKeyAOLDWNXARBQFGL-UHFFFAOYSA-N
XLogP10.36
TPSA196.09 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.53
LogP ≤ 510.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine 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

1-[4-[4-amino-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-1-yl]butyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]butyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-4-yl]urea;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 157385804
3-(2-Chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride
CID 158358312
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]urea;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 160333491
N,N-bis(pyridin-2-ylmethyl)-5-[[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]pyridin-2-amine
CID 136881951
7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
CID 11155974
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
CID 15068979
3-[4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]cyclohexen-1-yl]-5-methoxy-1H-indole
CID 15069006
4-Chloro-1-methyl-2-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyrrolo[2,3-b]pyridine
CID 53250164
4-Chloro-1-methyl-3-[3-(2-methylpropoxy)phenyl]-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridine
CID 67257153
[4-(4-methoxyphenyl)-1-(7H-purin-6-yl)piperidin-4-yl]methanamine;[4-(4-phenylmethoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 68842881
4-[2-[4-[6-chloro-7-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]morpholine;6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 87963416
3-[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole
CID 90468566

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine (CID 157179858) is 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine is COc1cccc(-c2cn(CCCN)c3cc(N)ncc23)c1.COc1cccc(-c2cn(CCN)c3cc(N)ncc23)c1.Clc1cc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c2cn1.
What is the InChIKey of 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is AOLDWNXARBQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O.C17H20N4O.C16H18N4O/c21-20-10-19-18(12-23-20)17(11-22-19)15-7-4-8-16(9-15)24-13-14-5-2-1-3-6-14;1-22-13-5-2-4-12(8-13)15-11-21(7-3-6-18)16-9-17(19)20-10-14(15)16;1-21-12-4-2-3-11(7-12)14-10-20(6-5-17)15-8-16(18)19-9-13(14)15/h1-12,22H,13H2;2,4-5,8-11H,3,6-7,18H2,1H3,(H2,19,20);2-4,7-10H,5-6,17H2,1H3,(H2,18,19).
What are the key properties of 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine?
1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 913.53 g/mol, XLogP of 10.36, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;1-(3-aminopropyl)-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine;6-chloro-3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 157179858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).