N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine

C26H29BrN6O3 — CID 143262096

IUPACN-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine
SMILESCC(C)N.COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(NC=O)c1
InChIInChI=1S/C23H20BrN5O3.C3H9N/c1-32-21-6-5-16(24)12-19(21)28-23(31)27-18-3-2-4-20-17(18)8-10-29(20)13-15-7-9-25-22(11-15)26-14-30;1-3(2)4/h2-12,14H,13H2,1H3,(H,25,26,30)(H2,27,28,31);3H,4H2,1-2H3
InChIKeyFWKOMVKKGBBEKK-UHFFFAOYSA-N
MW553.46 g/mol
LogP5.42
Rot. Bonds7

About N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine

N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine (PubChem CID 143262096) has the molecular formula C26H29BrN6O3 and a molecular weight of 553.46 g/mol. Its IUPAC name is N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine.

Molecular Properties

Compound NameN-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine
PubChem CID143262096
Molecular FormulaC26H29BrN6O3
Molecular Weight553.46 g/mol
Exact Mass552.15
IUPAC NameN-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine
SMILESCC(C)N.COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(NC=O)c1
InChIInChI=1S/C23H20BrN5O3.C3H9N/c1-32-21-6-5-16(24)12-19(21)28-23(31)27-18-3-2-4-20-17(18)8-10-29(20)13-15-7-9-25-22(11-15)26-14-30;1-3(2)4/h2-12,14H,13H2,1H3,(H,25,26,30)(H2,27,28,31);3H,4H2,1-2H3
InChIKeyFWKOMVKKGBBEKK-UHFFFAOYSA-N
XLogP5.42
TPSA123.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.46
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-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

1-(5-chloro-2-methoxyphenyl)-3-[1-[[2-(pyrazin-2-ylamino)-4-pyridinyl]methyl]indol-4-yl]urea
CID 11591418
1-(5-bromo-2-methoxyphenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea
CID 68753327
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]urea
CID 11627218
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-[5-chloro-2-(trideuteriomethoxy)phenyl]urea
CID 87073496
tert-butyl N-[4-[[4-(phenylcarbamoylamino)indol-1-yl]methyl]-2-pyridinyl]carbamate
CID 58703446
1-(5-chloro-2-methoxyphenyl)-3-[1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridin-4-yl]urea
CID 15604225
1-[1-[(2-amino-4-pyridinyl)-dideuteriomethyl]indol-4-yl]-3-[5-chloro-2-(trideuteriomethoxy)phenyl]urea
CID 87073421
1-[1-[(2-amino-4-pyridinyl)-dideuteriomethyl]indol-4-yl]-3-(2-bromophenyl)urea
CID 87073652
1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
CID 69498250
1-[1-[(2-amino-4-pyridinyl)methyl]-5-fluoroindol-4-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 11525724
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-[5-chloro-2-(methylamino)phenyl]urea
CID 70640486
1-(2-methoxyphenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea
CID 50995115

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine?
The IUPAC name of N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine (CID 143262096) is N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine.
What is the SMILES notation for N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine?
The canonical SMILES for N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine is CC(C)N.COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(NC=O)c1.
What is the InChIKey of N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine?
The InChIKey is FWKOMVKKGBBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN5O3.C3H9N/c1-32-21-6-5-16(24)12-19(21)28-23(31)27-18-3-2-4-20-17(18)8-10-29(20)13-15-7-9-25-22(11-15)26-14-30;1-3(2)4/h2-12,14H,13H2,1H3,(H,25,26,30)(H2,27,28,31);3H,4H2,1-2H3.
What are the key properties of N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine?
N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine has a molecular weight of 553.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]indol-1-yl]methyl]-2-pyridinyl]formamide;propan-2-amine is sourced from PubChem (CID 143262096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).