2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol

C25H34N4O — CID 167082674

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol
SMILESCc1cc(-c2[nH]c3ccc(C(C)C(O)N[C@@H]4CCCNC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H34N4O/c1-15(2)23-21-13-18(17(4)25(30)28-20-6-5-10-26-14-20)7-8-22(21)29-24(23)19-9-11-27-16(3)12-19/h7-9,11-13,15,17,20,25-26,28-30H,5-6,10,14H2,1-4H3/t17?,20-,25?/m1/s1
InChIKeyZHXRPRJODLJCIW-WMPHXYKRSA-N
MW406.57 g/mol
LogP4.43
Rot. Bonds6

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol (PubChem CID 167082674) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol
PubChem CID167082674
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol
SMILESCc1cc(-c2[nH]c3ccc(C(C)C(O)N[C@@H]4CCCNC4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H34N4O/c1-15(2)23-21-13-18(17(4)25(30)28-20-6-5-10-26-14-20)7-8-22(21)29-24(23)19-9-11-27-16(3)12-19/h7-9,11-13,15,17,20,25-26,28-30H,5-6,10,14H2,1-4H3/t17?,20-,25?/m1/s1
InChIKeyZHXRPRJODLJCIW-WMPHXYKRSA-N
XLogP4.43
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.43
H-Bond Donors ≤ 54
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

2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-piperidin-3-ylpropanamide
CID 155210906
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-(pyrrolidin-3-ylmethyl)propanamide
CID 155210880
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-pyrrolidin-3-ylpropanamide
CID 155210865
[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
CID 175343898
3-fluoro-N-methyl-N-[3-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]pentyl]piperidin-4-amine
CID 166839192
4-methyl-4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[(3S)-pyrrolidin-3-yl]pentan-3-one
CID 158912677
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
5-(1-cyclohexylpiperidin-4-yl)-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 161065761
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
CID 154641135
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol (CID 167082674) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol is Cc1cc(-c2[nH]c3ccc(C(C)C(O)N[C@@H]4CCCNC4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol?
The InChIKey is ZHXRPRJODLJCIW-WMPHXYKRSA-N. The full InChI is InChI=1S/C25H34N4O/c1-15(2)23-21-13-18(17(4)25(30)28-20-6-5-10-26-14-20)7-8-22(21)29-24(23)19-9-11-27-16(3)12-19/h7-9,11-13,15,17,20,25-26,28-30H,5-6,10,14H2,1-4H3/t17?,20-,25?/m1/s1.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol has a molecular weight of 406.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1-[[(3R)-piperidin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 167082674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).