4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine

C26H27N5O — CID 23646993

IUPAC4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H27N5O/c27-21(13-20-15-30-25-4-2-1-3-24(20)25)17-32-23-11-19(14-28-16-23)6-5-18-9-10-29-26(12-18)31-22-7-8-22/h1-6,9-12,14-16,21-22,30H,7-8,13,17,27H2,(H,29,31)/b6-5+/t21-/m0/s1
InChIKeyORACGVPOSSYZRZ-LYSGITKLSA-N
MW425.54 g/mol
LogP4.65
Rot. Bonds9

About 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine

4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine (PubChem CID 23646993) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine
PubChem CID23646993
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H27N5O/c27-21(13-20-15-30-25-4-2-1-3-24(20)25)17-32-23-11-19(14-28-16-23)6-5-18-9-10-29-26(12-18)31-22-7-8-22/h1-6,9-12,14-16,21-22,30H,7-8,13,17,27H2,(H,29,31)/b6-5+/t21-/m0/s1
InChIKeyORACGVPOSSYZRZ-LYSGITKLSA-N
XLogP4.65
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine with MolForge

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Related Compounds

6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethynylpyridin-3-yl}isoquinoline
CID 23647573
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)acetamide
CID 10126724
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-4-yl)quinoline
CID 10150682
6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 10194205
3-[(2S)-2-amino-3-({6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10194362
3-[(2S)-2-amino-3-({5-[2-(pyridin-4-yl)ethynyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237197
3-[(2S)-2-amino-3-({2-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237750
3-[(2S)-2-amino-3-{[5-(pyridin-4-yl)pyridin-3-yl]oxy}propyl]-1H-indole
CID 20744784

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine?
The IUPAC name of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine (CID 23646993) is 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine.
What is the SMILES notation for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine?
The canonical SMILES for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine is N[C@H](COc1cncc(/C=C/c2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine?
The InChIKey is ORACGVPOSSYZRZ-LYSGITKLSA-N. The full InChI is InChI=1S/C26H27N5O/c27-21(13-20-15-30-25-4-2-1-3-24(20)25)17-32-23-11-19(14-28-16-23)6-5-18-9-10-29-26(12-18)31-22-7-8-22/h1-6,9-12,14-16,21-22,30H,7-8,13,17,27H2,(H,29,31)/b6-5+/t21-/m0/s1.
What are the key properties of 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine?
4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine has a molecular weight of 425.54 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethenyl]-N-cyclopropylpyridin-2-amine is sourced from PubChem (CID 23646993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).