[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol

C18H18BrN3O2 — CID 138501149

IUPAC[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol
SMILESCOC(O)c1cc(C2CC2)cnc1Nc1ccc2[nH]cc(Br)c2c1
InChIInChI=1S/C18H18BrN3O2/c1-24-18(23)14-6-11(10-2-3-10)8-21-17(14)22-12-4-5-16-13(7-12)15(19)9-20-16/h4-10,18,20,23H,2-3H2,1H3,(H,21,22)
InChIKeyCXZBHQFDYUZFKC-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.58
Rot. Bonds5

About [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol

[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol (PubChem CID 138501149) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol.

Molecular Properties

Compound Name[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol
PubChem CID138501149
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol
SMILESCOC(O)c1cc(C2CC2)cnc1Nc1ccc2[nH]cc(Br)c2c1
InChIInChI=1S/C18H18BrN3O2/c1-24-18(23)14-6-11(10-2-3-10)8-21-17(14)22-12-4-5-16-13(7-12)15(19)9-20-16/h4-10,18,20,23H,2-3H2,1H3,(H,21,22)
InChIKeyCXZBHQFDYUZFKC-UHFFFAOYSA-N
XLogP4.58
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-cyclopropyl-2-(1H-indol-5-ylamino)-3-pyridinyl]-prop-2-enoxymethanol
CID 129036074
methyl 2-[(3-bromo-1H-indol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate;methyl 2-[(3-bromo-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 158582016
3-bromo-6-cyclopropyl-1H-indole
CID 130052143
[5-cyclopropyl-2-[(1-phenylindol-4-yl)amino]-3-pyridinyl]-[(2-methylpropan-2-yl)oxy]methanol
CID 129035821
methyl 2-[(3-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylate;methyl 5-cyclopropyl-2-[[3-(4-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylate;propane
CID 144618921
butyl 5-cyclopropyl-2-(1H-indol-5-ylamino)pyridine-3-carboxylate
CID 90153053
methyl 5-cyclopropyl-2-(7λ3-ioda-9-azabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-4-ylamino)pyridine-3-carboxylate
CID 142726477
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153181
N-(5-bromo-2-cyclopropylpyrimidin-4-yl)-1H-indazol-5-amine
CID 166397784
[5-cyclopropyl-2-[[1-(cyclopropylmethyl)-7-(3-methoxypropyl)indol-5-yl]amino]-3-pyridinyl]methanediol
CID 129036051
2,3-dibromo-5-cyclopropylpyridine
CID 130053485

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol?
The IUPAC name of [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol (CID 138501149) is [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol.
What is the SMILES notation for [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol?
The canonical SMILES for [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol is COC(O)c1cc(C2CC2)cnc1Nc1ccc2[nH]cc(Br)c2c1.
What is the InChIKey of [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol?
The InChIKey is CXZBHQFDYUZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-24-18(23)14-6-11(10-2-3-10)8-21-17(14)22-12-4-5-16-13(7-12)15(19)9-20-16/h4-10,18,20,23H,2-3H2,1H3,(H,21,22).
What are the key properties of [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol?
[2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol has a molecular weight of 388.27 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-1H-indol-5-yl)amino]-5-cyclopropyl-3-pyridinyl]-methoxymethanol is sourced from PubChem (CID 138501149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).