(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine

C25H27N5 — CID 164553705

IUPAC(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(N5CC[C@@H](N)C5)nc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C25H27N5/c1-15-10-20(11-16(2)28-15)25-17(3)22-6-4-18(12-23(22)29-25)19-5-7-24(27-13-19)30-9-8-21(26)14-30/h4-7,10-13,21,29H,8-9,14,26H2,1-3H3/t21-/m1/s1
InChIKeyMDLBQYQSRDMNOT-OAQYLSRUSA-N
MW397.53 g/mol
LogP4.75
Rot. Bonds3

About (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine

(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 164553705) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
PubChem CID164553705
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(N5CC[C@@H](N)C5)nc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C25H27N5/c1-15-10-20(11-16(2)28-15)25-17(3)22-6-4-18(12-23(22)29-25)19-5-7-24(27-13-19)30-9-8-21(26)14-30/h4-7,10-13,21,29H,8-9,14,26H2,1-3H3/t21-/m1/s1
InChIKeyMDLBQYQSRDMNOT-OAQYLSRUSA-N
XLogP4.75
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-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

[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-1-methylpiperazin-2-yl]methanol
CID 164553605
2-[[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperidin-4-yl]amino]ethanol
CID 164553519
1-[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone;ethane
CID 164553749
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]-1H-indole;ethane
CID 164553597
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]-1H-indole
CID 164553847
[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]-oxo-[(3R)-pyrrolidin-3-yl]azanium
CID 164553751
(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
CID 164553454
3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-indole
CID 164553910
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-6-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indole
CID 164553722
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
tert-butyl N-[1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]pyridine-2-carbonyl]piperidin-4-yl]carbamate
CID 164553545
6-[(3R)-3-aminopyrrolidin-1-yl]pyridin-3-amine
CID 68722963

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine (CID 164553705) is (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine is Cc1cc(-c2[nH]c3cc(-c4ccc(N5CC[C@@H](N)C5)nc4)ccc3c2C)cc(C)n1.
What is the InChIKey of (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is MDLBQYQSRDMNOT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N5/c1-15-10-20(11-16(2)28-15)25-17(3)22-6-4-18(12-23(22)29-25)19-5-7-24(27-13-19)30-9-8-21(26)14-30/h4-7,10-13,21,29H,8-9,14,26H2,1-3H3/t21-/m1/s1.
What are the key properties of (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine?
(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 397.53 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 164553705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).