(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone

C27H28N4O — CID 164553454

IUPAC(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(C(=O)N5CCC(N)C5)cc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C27H28N4O/c1-16-12-22(13-17(2)29-16)26-18(3)24-9-8-21(14-25(24)30-26)19-4-6-20(7-5-19)27(32)31-11-10-23(28)15-31/h4-9,12-14,23,30H,10-11,15,28H2,1-3H3
InChIKeyZYSBQUWRXRAFDQ-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.00
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone

(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone (PubChem CID 164553454) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
PubChem CID164553454
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
SMILESCc1cc(-c2[nH]c3cc(-c4ccc(C(=O)N5CCC(N)C5)cc4)ccc3c2C)cc(C)n1
InChIInChI=1S/C27H28N4O/c1-16-12-22(13-17(2)29-16)26-18(3)24-9-8-21(14-25(24)30-26)19-4-6-20(7-5-19)27(32)31-11-10-23(28)15-31/h4-9,12-14,23,30H,10-11,15,28H2,1-3H3
InChIKeyZYSBQUWRXRAFDQ-UHFFFAOYSA-N
XLogP5.00
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 164553752
(3R)-1-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 164553705
(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
CID 118768512
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
CID 164553821
methyl 3-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]benzoate
CID 164553795
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
1-[4-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 164554018
tert-butyl 4-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]triazol-1-yl]piperidine-1-carboxylate
CID 164553855
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone (CID 164553454) is (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone is Cc1cc(-c2[nH]c3cc(-c4ccc(C(=O)N5CCC(N)C5)cc4)ccc3c2C)cc(C)n1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone?
The InChIKey is ZYSBQUWRXRAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-16-12-22(13-17(2)29-16)26-18(3)24-9-8-21(14-25(24)30-26)19-4-6-20(7-5-19)27(32)31-11-10-23(28)15-31/h4-9,12-14,23,30H,10-11,15,28H2,1-3H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone?
(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone has a molecular weight of 424.55 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone is sourced from PubChem (CID 164553454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).