4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane

C20H24BrCl2N5 — CID 157194576

IUPAC4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane
SMILESC.Clc1cnc2[nH]ccc2c1Br.Clc1cnc2[nH]ccc2c1NC1CCCC1.[H][2H]
InChIInChI=1S/C12H14ClN3.C7H4BrClN2.CH4.H2/c13-10-7-15-12-9(5-6-14-12)11(10)16-8-3-1-2-4-8;8-6-4-1-2-10-7(4)11-3-5(6)9;;/h5-8H,1-4H2,(H2,14,15,16);1-3H,(H,10,11);1H4;1H/i;;;1+1
InChIKeyAQCCWFDXFKMYKA-SGNQUONSSA-N
MW486.26 g/mol
LogP7.43
Rot. Bonds2

About 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane

4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane (PubChem CID 157194576) has the molecular formula C20H24BrCl2N5 and a molecular weight of 486.26 g/mol. Its IUPAC name is 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane.

Molecular Properties

Compound Name4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane
PubChem CID157194576
Molecular FormulaC20H24BrCl2N5
Molecular Weight486.26 g/mol
Exact Mass484.07
IUPAC Name4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane
SMILESC.Clc1cnc2[nH]ccc2c1Br.Clc1cnc2[nH]ccc2c1NC1CCCC1.[H][2H]
InChIInChI=1S/C12H14ClN3.C7H4BrClN2.CH4.H2/c13-10-7-15-12-9(5-6-14-12)11(10)16-8-3-1-2-4-8;8-6-4-1-2-10-7(4)11-3-5(6)9;;/h5-8H,1-4H2,(H2,14,15,16);1-3H,(H,10,11);1H4;1H/i;;;1+1
InChIKeyAQCCWFDXFKMYKA-SGNQUONSSA-N
XLogP7.43
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.26
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane with MolForge

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Related Compounds

1-N-[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 49830280
2-{(1H-Pyrrolo[2,3-b]pyridin-3-yl)methyl}-5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptane
CID 44123782
2-Pyrimidinamine, 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)
CID 24801183
4-Piperidinemethanamine,a-(4-chlorophenyl)-1-(1h-pyrrolo[2,3-b]pyridin-4-yl)-
CID 24828717
N-(2-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44416064
(S)-N-(3-bromophenyl)-4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N''-cyano-2-methylpiperazine-1-carboximidamide
CID 44542776
2-(5-Chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopentyl-5-fluoro-4-pyrimidinamine
CID 68102094
3-(2,5-dichloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 118861407
4-[(3S)-3-aminopiperidin-1-yl]-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155665954
4-[(3R)-3-aminopiperidin-1-yl]-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155665980
(R)-N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)-5-bromo-N-methylpyridin-2-amine
CID 66765983
5-bromo-2-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 68027263

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane?
The IUPAC name of 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane (CID 157194576) is 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane.
What is the SMILES notation for 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane?
The canonical SMILES for 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane is C.Clc1cnc2[nH]ccc2c1Br.Clc1cnc2[nH]ccc2c1NC1CCCC1.[H][2H].
What is the InChIKey of 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane?
The InChIKey is AQCCWFDXFKMYKA-SGNQUONSSA-N. The full InChI is InChI=1S/C12H14ClN3.C7H4BrClN2.CH4.H2/c13-10-7-15-12-9(5-6-14-12)11(10)16-8-3-1-2-4-8;8-6-4-1-2-10-7(4)11-3-5(6)9;;/h5-8H,1-4H2,(H2,14,15,16);1-3H,(H,10,11);1H4;1H/i;;;1+1.
What are the key properties of 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane?
4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane has a molecular weight of 486.26 g/mol, XLogP of 7.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-N-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-4-amine;deuterium monohydride;methane is sourced from PubChem (CID 157194576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).