azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone

C27H30N4O — CID 164553752

IUPACazane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(C(=O)N5CCCC5)cc4)ccc3c2C)cc(C)n1.N
InChIInChI=1S/C27H27N3O.H3N/c1-17-14-23(15-18(2)28-17)26-19(3)24-11-10-22(16-25(24)29-26)20-6-8-21(9-7-20)27(31)30-12-4-5-13-30;/h6-11,14-16,29H,4-5,12-13H2,1-3H3;1H3
InChIKeyPSWCZTVKTPOTTH-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.22
Rot. Bonds3

About azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone

azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 164553752) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameazane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID164553752
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Nameazane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(C(=O)N5CCCC5)cc4)ccc3c2C)cc(C)n1.N
InChIInChI=1S/C27H27N3O.H3N/c1-17-14-23(15-18(2)28-17)26-19(3)24-11-10-22(16-25(24)29-26)20-6-8-21(9-7-20)27(31)30-12-4-5-13-30;/h6-11,14-16,29H,4-5,12-13H2,1-3H3;1H3
InChIKeyPSWCZTVKTPOTTH-UHFFFAOYSA-N
XLogP6.22
TPSA83.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
CID 164553454
1-[4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone;ethane
CID 164553749
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
CID 164553795
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
CID 164553821
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
3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone
CID 150088835
tert-butyl 4-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;molecular hydrogen
CID 164553671
tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate
CID 164553855
(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 164553705
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
CID 171697921

Frequently Asked Questions

What is the IUPAC name of azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 164553752) is azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone is Cc1cc(-c2[nH]c3cc(-c4ccc(C(=O)N5CCCC5)cc4)ccc3c2C)cc(C)n1.N.
What is the InChIKey of azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is PSWCZTVKTPOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O.H3N/c1-17-14-23(15-18(2)28-17)26-19(3)24-11-10-22(16-25(24)29-26)20-6-8-21(9-7-20)27(31)30-12-4-5-13-30;/h6-11,14-16,29H,4-5,12-13H2,1-3H3;1H3.
What are the key properties of azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone?
azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 426.56 g/mol, XLogP of 6.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 164553752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).