(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine

C23H24ClN5 — CID 23646975

IUPAC(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine
SMILESN[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)CC1CNc2ccccc21
InChIInChI=1S/C23H24ClN5/c24-23-17(6-5-16-7-9-26-10-8-16)12-20(15-29-23)27-14-19(25)11-18-13-28-22-4-2-1-3-21(18)22/h1-10,12,15,18-19,27-28H,11,13-14,25H2/b6-5+/t18?,19-/m0/s1
InChIKeyUIJYBPOFYCKFKS-BGCYOVRJSA-N
MW405.93 g/mol
LogP4.64
Rot. Bonds7

About (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine

(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine (PubChem CID 23646975) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine
PubChem CID23646975
Molecular FormulaC23H24ClN5
Molecular Weight405.93 g/mol
Exact Mass405.17
IUPAC Name(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine
SMILESN[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)CC1CNc2ccccc21
InChIInChI=1S/C23H24ClN5/c24-23-17(6-5-16-7-9-26-10-8-16)12-20(15-29-23)27-14-19(25)11-18-13-28-22-4-2-1-3-21(18)22/h1-10,12,15,18-19,27-28H,11,13-14,25H2/b6-5+/t18?,19-/m0/s1
InChIKeyUIJYBPOFYCKFKS-BGCYOVRJSA-N
XLogP4.64
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
Homoepibatidine
CID 44327552
3-chloro-9H-pyrido[3,4-b]indole
CID 6198020
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 10172517
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
4-[2-(4-Chloro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399649
1-Methyl-3-[2-(piperidin-4-yl)ethyl]-1H-indole--hydrogen chloride (1/1)
CID 45259565
2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
CID 3795475
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 23646974
2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 10085312
5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-chloro-pyridin-3-ylamine
CID 10398695

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine (CID 23646975) is (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine is N[C@H](CNc1cnc(Cl)c(/C=C/c2ccncc2)c1)CC1CNc2ccccc21.
What is the InChIKey of (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine?
The InChIKey is UIJYBPOFYCKFKS-BGCYOVRJSA-N. The full InChI is InChI=1S/C23H24ClN5/c24-23-17(6-5-16-7-9-26-10-8-16)12-20(15-29-23)27-14-19(25)11-18-13-28-22-4-2-1-3-21(18)22/h1-10,12,15,18-19,27-28H,11,13-14,25H2/b6-5+/t18?,19-/m0/s1.
What are the key properties of (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine?
(2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine has a molecular weight of 405.93 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]-3-(2,3-dihydro-1H-indol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 23646975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).